phonons

Module to describe the effect of temperature on the atomic positions.

Classes

AtomsEnsemble(trajectory[, ensemble_mean, ...])	Frozen phonons based on a molecular dynamics simulation.
BaseFrozenPhonons(atomic_numbers, cell[, ...])	Base class for frozen phonons.
DummyFrozenPhonons(atoms[, num_configs])	Class to allow all potentials to be treated in the same way.
FrozenPhonons(atoms, num_configs, sigmas[, ...])	The frozen phonons randomly displace the atomic positions to emulate thermal vibrations.