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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, 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.

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