atomate2.common.jobs.phonons¶

Jobs for running phonon calculations.

Functions

`generate_frequencies_eigenvectors`	Analyze the phonon runs and summarize the results.
`generate_phonon_displacements`	Generate displaced structures with phonopy.
`get_supercell_size`	Determine supercell size with given min_length and max_length.
`get_total_energy_per_cell`	Job that computes total DFT energy of the cell.
`run_phonon_displacements`	Run phonon displacements.

Classes

bool(x) -> bool