GruneisenInputDirs

pydantic model atomate2.common.schemas.gruneisen.GruneisenInputDirs[source]

Collection with all input directories relevant for the Grueneisen run.

field ground: str | None = None

The directory with ground state structure phonopy yaml

field plus: str | None = None

The directory with expanded structure phonopy yaml

field minus: str | None = None

The directory with contracted structure phonopy yaml