Skip to content

Latest commit

 

History

History
34 lines (23 loc) · 1.01 KB

intensity-map-script.rst

File metadata and controls

34 lines (23 loc) · 1.01 KB
Raw

euphonic-intensity-map

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 coherent neutron-weighted intensity map from CASTEP force constants along a recommended q-point path, one could run:

euphonic-intensity-map --weighting coherent --energy-broadening 1.5 quartz.castep_bin

Or, to plot a DOS-weighted intensity from Phonopy phonon frequencies:

euphonic-intensity-map --weighting dos --energy-unit THz --energy-broadening 0.15 band.yaml

To see all the command line options, run:

euphonic-intensity-map -h

You can also see the available command line options below

Command Line Options

.. argparse::
   :module: euphonic.cli.intensity_map
   :func: get_parser
   :prog: euphonic-intensity-map