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