run_elph_displacements#

atomate2.vasp.jobs.elph.run_elph_displacements(temperatures, structures, vasp_maker, prev_dir=None, original_structure=None, supercell_structure=None)[source]#

Run electron phonon displaced structures.

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

Parameters:

  • temperatures (list of float) – Temperatures at which electron phonon structures were generated.

  • structures (list of Structure) – Electron phonon displaced structures for each temperature.

  • vasp_maker (BaseVaspMaker) – A maker to generate VASP calculations on the displaced structures.

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

  • original_structure (Structure) – The original structure before supercell is made and before electron phonon displacements.

  • supercell_structure (Structure) –

Return type:

Response