atomate2.common.flows.anharmonicityΒΆ

A workflow to evaluate the anharmonicity of a material with sigma^A.

For details see: doi.org/10.1103/PhysRevMaterials.4.083809

Classes

BaseAnharmonicityMaker

Maker to calculate the anharmonicity score of a material.

SUPPORTED_CODES

Built-in mutable sequence.

TYPE_CHECKING

bool(x) -> bool