RawElectronicData

class atomate2.vasp.schemas.elph.RawElectronicData(*, displacement_uuids=None, displacement_dirs=None, displacement_structures=None, displacement_cbms=None, displacement_vbms=None, bulk_uuid=None, bulk_dir=None, bulk_structure=None, bulk_cbm=None, bulk_vbm=None, bulk_vbm_band_indices=None, bulk_cbm_band_indices=None, elph_uuid=None, elph_dir=None)

Bases: BaseModel

Raw data used to fit electron-phonon renormalisation.

Parameters:

• displacement_uuids (list[str])

• displacement_dirs (list[str])

• displacement_structures (list[Structure])

• displacement_cbms (list[list[float]])

• displacement_vbms (list[list[float]])

• bulk_uuid (str)

• bulk_dir (str)

• bulk_structure (Structure)

• bulk_cbm (float)

• bulk_vbm (float)

• bulk_vbm_band_indices (dict[str, list[int]])

• bulk_cbm_band_indices (dict[str, list[int]])

• elph_uuid (str)

• elph_dir (str)

model_config = {}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].