GruneisenDerivedProperties¶

pydantic model atomate2.common.schemas.gruneisen.GruneisenDerivedProperties[source]¶

Collection of data derived from the Grueneisen workflow.

field average_gruneisen: float | None = None¶: The average Grueneisen parameter

field thermal_conductivity_slack: float | None = None¶: The thermal conductivity at the acoustic Debye temperature with the Slack formula.