atomate2.vasp.flows.elph#

Flows for electron phonon calculations.

Classes

DEFAULT_ELPH_TEMPERATURES

Built-in immutable sequence.

DEFAULT_MIN_SUPERCELL_LENGTH

int([x]) -> integer int(x, base=10) -> integer

ElectronPhononMaker

Maker to create electron phonon displaced structures and band gap renormalisation.

HSEElectronPhononMaker

Maker to create electron phonon displaced structures and HSE gap renormalisation.