atomate2.vasp.jobs.elphΒΆ

Jobs for performing electron phonon calculations in VASP.

Functions

calculate_electron_phonon_renormalisation

Calculate the electron-phonon renormalisation of the band gap.

run_elph_displacements

Run electron phonon displaced structures.

Classes

DEFAULT_ELPH_TEMPERATURES

Built-in immutable sequence.

DEFAULT_MIN_SUPERCELL_LENGTH

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

SupercellElectronPhononDisplacedStructureMaker

Maker to run electron phonon VASP jobs to generate displaced structures.

TYPE_CHECKING

bool(x) -> bool