get_iso_atom#
- autoplex.auto.phonons.jobs.get_iso_atom(structure_list, isolated_atom_maker)[source]#
Job to collect all atomic species of the structures and starting VASP calculation of isolated atoms.
- Parameters:
structure_list (list[Structure]) – list of pymatgen Structure objects
isolated_atom_maker (IsoAtomStaticMaker) – VASP maker for the isolated atom calculation.