run_elastic_deformations#

atomate2.vasp.jobs.elastic.run_elastic_deformations(structure, deformations, prev_vasp_dir=None, elastic_relax_maker=None)[source]#

Run elastic deformations.

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

Parameters:

  • structure (Structure) – A pymatgen structure.

  • deformations (list of Deformation) – The deformations to apply.

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

  • elastic_relax_maker (.BaseVaspMaker) – A VaspMaker to use to generate the elastic relaxation jobs.