PhononComputationalSettings

class emmet.core.phonon.PhononComputationalSettings(**data)

Bases: BaseModel

Collection to store computational settings for the phonon computation.

Parameters:
  • npoints_band (int | None)

  • kpath_scheme (str | None)

  • kpoint_density_dos (int | None)

model_config: ClassVar[ConfigDict] = {}

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