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I enumerated the structures in the specified range, and then failed to submit.
Hello, I failed to submit the calculation after enumerating the structures with the specified range. Can casm optimize the structures with the specified atomic number? Here are the commands I enumerated.Hope to get help, thank you! casm enum --method ScelEnum -i '{"min": 9,"max": 9}'
I'm sorry, I don't understand this question. ScelEnum
enumerates supercells. Then another step such as casm enum -m ConfigEnumAllOccupations --all
is needed to enumerate configurations (occupational orderings) in the generated supercells (in this case --all
means all generated supercells).