run_amset_deformations#

atomate2.vasp.jobs.amset.run_amset_deformations(structure, symprec=SETTINGS.SYMPREC, prev_dir=None, static_deformation_maker=None)[source]#

Run amset deformations.

Note, this job will replace itself with N static calculations, where N is the number of deformations.

Parameters:

  • structure (.Structure) – A pymatgen structure.

  • symprec (float) – Symmetry precision used to reduce the number of deformations. Set to None for no symmetry reduction.

  • prev_dir (str or Path or None) – A previous VASP directory to use for copying VASP outputs.

  • static_deformation_maker (.BaseVaspMaker or None) – A VaspMaker to use to generate the static deformation jobs.

Returns:

The directory names of each deformation calculation.

Return type:

List[str]