euphonic 0.5.1

Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)

Euphonic is a Python package that can efficiently calculate phonon bandstructures and inelastic neutron scattering intensities from a force constants matrix (e.g. from a .castep_bin file). While Euphonic is primarily a library, a command-line tool is provided for convenient plotting of inelastic neutron scattering intensities from force-constants data.

Euphonic can also plot previously-calculated dispersion and density of states data from a CASTEP .phonon file.

For more information, see the docs.