run_phonon_displacements#

atomate2.common.jobs.phonons.run_phonon_displacements(displacements, structure, supercell_matrix, phonon_maker=None, prev_dir=None)[source]#

Run phonon displacements.

Note, this job will replace itself with N displacement calculations.

Parameters:

  • displacements –

  • structure (Structure object) – Fully optimized structure used for phonon computations.

  • supercell_matrix (Matrix3D) – supercell matrix for meta data

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

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

Return type:

Flow