LobsterinModel

class emmet.core.lobster.LobsterinModel(**data)

Bases: BaseModel

Definition of input settings for the LOBSTER computation.

Parameters:
  • cohp_start_energy (float)

  • cohp_end_energy (float)

  • gaussian_smearing_width (float | None)

  • use_decimal_places (int | None)

  • cohp_steps (float | None)

  • basis_set (str)

  • cohp_generator (str)

  • save_projection_to_file (bool | None)

  • lso_dos (bool | None)

  • basis_functions (list[str])

model_config: ClassVar[ConfigDict] = {}

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