LobsterinModel

class atomate2.lobster.schemas.LobsterinModel(*, cohpstartenergy, cohpendenergy, gaussiansmearingwidth=None, usedecimalplaces=None, cohpsteps=None, basisset, cohpgenerator, saveprojectiontofile=None, lsodos=None, basisfunctions)

Bases: BaseModel

Definition of input settings for the LOBSTER computation.

Parameters:

• cohpstartenergy (float)

• cohpendenergy (float)

• gaussiansmearingwidth (float | None)

• usedecimalplaces (int | None)

• cohpsteps (float | None)

• basisset (str)

• cohpgenerator (str)

• saveprojectiontofile (bool | None)

• lsodos (bool | None)

• basisfunctions (list[str])

model_config = {}

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