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soft:siman:parsing

You can read your OUTCAR file

  1. from siman.calculators.vasp import CalculationVasp
  2. filename = '/home/name/OUTCAR'
  3. cl = CalculationVasp(output=filename)
  4. cl.read_results()
soft/siman/parsing.txt · Last modified: 2024/11/21 15:45 by admin

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