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euphonic-dos

The euphonic-dos program can be used to plot density of states, partial density of states, and/or neutron-weighted density of states. It can use pre-calculated frequencies, or use force constants to generate frequencies and DOS over a Monkhorst-Pack grid. For example, to plot DOS from a CASTEP .phonon file in units of 1/cm, run:

euphonic-dos --energy-unit 1/cm quartz-554-grid.phonon

Or, to plot coherent neutron-weighted DOS from CASTEP force constants in a .castep_bin file on a 15x15x12 grid with broadening, run:

euphonic-dos --weighting coherent-dos --grid 15 15 12 --energy-broadening 1.5 quartz.castep_bin

To see all the command line options, run:

euphonic-dos -h

You can also see the available command line options below

Command Line Options

.. argparse::
   :module: euphonic.cli.dos
   :func: get_parser
   :prog: euphonic-dos