atomate2.aims.flows.anharmonicityΒΆ
Defines the anharmonicity quantification workflows for FHI-aims.
Classes
Maker to calculate the anharmonicity score of a material. |
|
bool(x) -> bool |
Defines the anharmonicity quantification workflows for FHI-aims.
Classes
Maker to calculate the anharmonicity score of a material. |
|
bool(x) -> bool |