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