Skip to content

Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

License

Notifications You must be signed in to change notification settings

pace-neutrons/Euphonic

Repository files navigation

Euphonic

Euphonic is a Python package that can efficiently calculate phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants. The force constants can be read from various sources, including CASTEP .castep_bin files, or Phonopy phonopy.yaml files. While Euphonic is primarily a library, multiple command-line tools are also provided for convenient plotting of the above quantities.

For more information, see the docs.

About

Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intensities from force constants.

Resources

License

Stars

Watchers

Forks

Packages

No packages published