ARCHIVE
Archive 2.zip (26.02 kB)
ARCHIVE
Archive.zip (286.05 MB)
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atoms.out (0.01 kB)
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batch.sh (0.35 kB)
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chempot.out (1.11 kB)
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clusinfo.out (0.66 kB)
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clusters.out (4.76 kB)
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crange.in (0.01 kB)
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eci.out (0.45 kB)
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fit.out (3.88 kB)
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gs_connect.out (0.12 kB)
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gs_str.out (3.67 kB)
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gs.out (0.64 kB)
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job.sh (0.6 kB)
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lat.in (0.14 kB)
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maps.log (0.28 kB)
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mapsrep.gnu (1.05 kB)
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predstr.out (0.38 kB)
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submit.sh (0.52 kB)
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Ab initio calculations and high P-T experiments on iron, iron alloys and other materials: hcp-Fe-Si-C SQS structure
dataset
posted on 2019-11-27, 12:57 authored by Yunguo Li, Lidunka VocadloLidunka Vocadlo, John BrodholtJohn BrodholtThe folder contains the structures used for the cluster expansion for the hcp-Fe-Si-C alloy by using ATAT code.
It also contains the Monte Carlo calculations for the production of special quasirandom structures of the hcp-Fe-Si-C alloy.
Funding
NE/M015181/1
History
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