MeshData

class atomate2.amset.schemas.MeshData(*, energies=None, kpoints=None, ir_kpoints=None, ir_to_full_kpoint_mapping=None, efermi=None, vb_idx=None, num_electrons=None, velocities=None, scattering_rates=None, fd_cutoffs=None)

Bases: BaseModel

Definition of full AMSET mesh data.

Parameters:

• energies (dict[str, list[list[float]]])

• kpoints (list[tuple[float, float, float]])

• ir_kpoints (list[tuple[float, float, float]])

• ir_to_full_kpoint_mapping (list[int])

• efermi (float)

• vb_idx (dict[str, int])

• num_electrons (float)

• velocities (dict[str, list[list[tuple[float, float, float]]]])

• scattering_rates (dict[str, list[list[list[list[list[float]]]]]])

• fd_cutoffs (tuple[list[list[float]], list[list[float]]])

model_config = {}

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