BlessedCalcs

class emmet.core.vasp.material.BlessedCalcs(**data)

Bases: BaseModel

Parameters:
  • GGA (Annotated[ComputedStructureEntryTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_deserializer, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_serializer, return_type=dict[str, Any], when_used=always)] | None)

  • GGA_U (Annotated[ComputedStructureEntryTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_deserializer, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_serializer, return_type=dict[str, Any], when_used=always)] | None)

  • PBEsol (Annotated[ComputedStructureEntryTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_deserializer, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_serializer, return_type=dict[str, Any], when_used=always)] | None)

  • SCAN (Annotated[ComputedStructureEntryTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_deserializer, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_serializer, return_type=dict[str, Any], when_used=always)] | None)

  • r2SCAN (Annotated[ComputedStructureEntryTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_deserializer, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_serializer, return_type=dict[str, Any], when_used=always)] | None)

  • HSE06 (Annotated[ComputedStructureEntryTypeVar, BeforeValidator(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_deserializer, json_schema_input_type=PydanticUndefined), WrapSerializer(func=~emmet.core.types.pymatgen_types.computed_entries_adapter.entry_serializer, return_type=dict[str, Any], when_used=always)] | None)

model_config: ClassVar[ConfigDict] = {'populate_by_name': True, 'validate_by_alias': True, 'validate_by_name': True}

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