PhononComputationalSettings

class atomate2.common.schemas.phonons.PhononComputationalSettings(*, npoints_band=None, kpath_scheme=None, kpoint_density_dos=None)

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 = {}

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