BaderAnalysis

class emmet.core.types.pymatgen_types.bader.BaderAnalysis(**data)

Bases: BaseModel

Output of pymatgen.command_line.bader_caller.bader_analysis_from_objects

We omit the charge_densities field, since these are too large to justify storing in the document model.

Charge densities can already be stored in TaskDoc.vasp_objects

Parameters:

• min_dist (list[float])

• charge (list[float])

• atomic_volume (list[float])

• vacuum_charge (float)

• vacuum_volume (float)

• reference_used (bool)

• bader_version (float)

• charge_transfer (list[float] | None)

• magmom (list[float] | None)

model_config: ClassVar[ConfigDict] = {}

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