atomate2.aims.flowsΒΆ

Workflows for FHI-aims.

Modules

anharmonicity

Defines the anharmonicity quantification workflows for FHI-aims.

core

(Work)flows for FHI-aims.

elastic

Flows for calculating elastic constants.

eos

Equation of state workflow for FHI-aims.

gw

GW workflows for FHI-aims with automatic convergence.

phonons

Defines the phonon workflows for FHI-aims.