auto_kappa.cui.compat module

auto_kappa.cui.compat.check_ak_options(params, file_params)

Check the auto-kappa options.

auto_kappa.cui.compat.parse_vasp_params(params_string)
Parameters:

  • params_string (string) – VASP parameters which differ from the default values are given by --vasp_parameters option. The parmeters can be given like following.

  • option (How to set the)

  • ---------------------

  • --vasp_parameters="lsorbit=1 (>>>)

  • ediff=1e-9

  • ediffg=-1e7"

Return type:

dictionary of the parameters which will be modified