generate_supercells

generate_supercells#

autoplex.auto.phonons.jobs.generate_supercells(structures, supercell_settings)[source]#

Run phonon displacements.

Note, this job will replace itself with N displacement calculations, or a single socket calculation for all displacements.

Parameters:
  • structures (list[Structure]) –

  • supercell_settings (dict) – settings for supercells

Return type:

list[Iterable]