The euphonic-intensity-map
program can be used to plot a 2D intensity
map either along a specific trajectory from precalculated phonon frequencies
and eigenvectors, or along a recommended reciprocal space path from force
constants.
For example, to plot a DOS-weighted intensity map from CASTEP force constants along a recommended q-point path, in units of 1/cm with an energy broadening of 15 1/cm, one could run:
euphonic-intensity-map quartz.castep_bin --weighting dos --energy-unit 1/cm --energy-broadening 15
Or, to plot coherent inelastic neutron scattering intensities from CASTEP phonon frequencies, with 1000 energy bins and a broadening of 1.5 meV:
euphonic-intensity-map La2Zr2O7.phonon --weighting coherent --ebins 1000 --energy-broadening 1.5
To see all the command line options, run:
euphonic-intensity-map -h
You can also see the available command line options below. For information on advanced plot styling, see :ref:`styling`.
.. argparse::
:module: euphonic.cli.intensity_map
:func: get_parser
:prog: euphonic-intensity-map