run_phonon_jobs

atomate2.common.jobs.gruneisen.run_phonon_jobs(opt_struct, phonon_maker=None, symprec=SETTINGS.SYMPREC, prev_calc_dir_argname=None, prev_dir_dict=None)[source]

Run all phonon jobs if the symmetry stayed the same.

Parameters:

  • opt_struct (dict) – including all optimized structures with the keys ground, plus, minus

  • phonon_maker (.BasePhononMaker) – Maker to run a harmonic phonon computation.

  • symprec (float) – symmetry precision for phonon computation.

  • prev_calc_dir_argname (str or None) – name of the argument for the previous calculation directory

  • prev_dir_dict (dict) – dictionary of previous calculation directories keyed by the different types of optimization runs

Return type:

Phonon Jobs or Symmetry of the optimized structures.