phonons DosProperties ¶ Bases: TypedDict Type hint associated with PhononSchema. frequency_points instance-attribute ¶ frequency_points: NDArray total_dos instance-attribute ¶ total_dos: NDArray MeshProperties ¶ Bases: TypedDict Type hint associated with PhononSchema. eigenvectors instance-attribute ¶ eigenvectors: NDArray frequencies instance-attribute ¶ frequencies: NDArray group_velocities instance-attribute ¶ group_velocities: NDArray qpoints instance-attribute ¶ qpoints: NDArray weights instance-attribute ¶ weights: NDArray PhononResults ¶ Bases: TypedDict force_constants instance-attribute ¶ force_constants: NDArray mesh_properties instance-attribute ¶ mesh_properties: MeshProperties thermal_properties instance-attribute ¶ thermal_properties: ThermalProperties total_dos instance-attribute ¶ total_dos: DosProperties PhononSchema ¶ Bases: AtomsSchema Type hint associated with quacc.schemas.phonons.summarize_phonopy dir_name instance-attribute ¶ dir_name: str nid instance-attribute ¶ nid: str parameters instance-attribute ¶ parameters: dict[str, Any] | None phonopy_metadata instance-attribute ¶ phonopy_metadata: PhonopyMetadata quacc_version instance-attribute ¶ quacc_version: str results instance-attribute ¶ results: PhononResults PhonopyMetadata ¶ Bases: TypedDict Type hint associated with PhononSchema. version instance-attribute ¶ version: str ThermalProperties ¶ Bases: TypedDict Type hint associated with PhononSchema. entropy instance-attribute ¶ entropy: NDArray free_energy instance-attribute ¶ free_energy: NDArray heat_capacity instance-attribute ¶ heat_capacity: NDArray temperatures instance-attribute ¶ temperatures: NDArray