atomate2.common.schemas.phonons

Schemas for phonon documents.

Functions

get_factor

Get the frequency conversion factor to THz for each code.

Classes

Bohr	Convert a string or number to a floating-point number, if possible.
ForceConstants	A force constants class.
Hartree	Convert a string or number to a floating-point number, if possible.
PhononBSDOSDoc	Collection of all data produced by the phonon workflow.
PhononComputationalSettings	Collection to store computational settings for the phonon computation.
PhononJobDirs	Collection to save all job directories relevant for the phonon run.
PhononUUIDs	Collection to save all uuids connected to the phonon run.
ThermalDisplacementData	Collection to store information on the thermal displacement matrices.
VaspToTHz	Convert a string or number to a floating-point number, if possible.
omegaToTHz	Convert a string or number to a floating-point number, if possible.