VibrationalEnergy

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

Bases: BaseModel

Definition of the vibrational contribution to the energy as function of the temperature.

Parameters:

• temperatures (list[float])

• internal_energy (list[float])

• helmholtz_free_energy (list[float])

• zero_point_energy (float)

model_config: ClassVar[ConfigDict] = {}

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