ElectronicStep

class emmet.core.vasp.models.ElectronicStep(**data)

Bases: BaseModel

Document defining the information at each electronic step.

Note, not all the information will be available at every step.

Parameters:

• alphaZ (float | None)

• ewald (float | None)

• hartreedc (float | None)

• XCdc (float | None)

• pawpsdc (float | None)

• pawaedc (float | None)

• eentropy (float | None)

• bandstr (float | None)

• atom (float | None)

• e_fr_energy (float | None)

• e_wo_entrp (float | None)

• e_0_energy (float | None)

model_config: ClassVar[ConfigDict] = {}

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