dos.py Script

dos.py can be used to plot a density of states from precalculated frequencies in a .phonon or .bands file. For example, to plot DOS from a quartz.phonon file, run:

dos.py quartz.phonon

To see all the command line options, run:

dos.py -h

You can also see the available command line options below

Command Line Options

Extract bandstructure data from a .phonon file and plot the density of states with matplotlib

usage: dos.py [-h] [-unit UNIT] [-s S] [-w W] [-b B] [-lorentz] filename

Positional Arguments

filename

The .phonon file to extract the data from

Named Arguments

-unit	Convert frequencies to specified unit for plotting (e.g 1/cm) Default: “meV”
-s	Save resulting plot to a file with this name

DOS arguments

Arguments specific to plotting the density of states

-w	Set Gaussian/Lorentzian FWHM for broadening (in units specified by -unit argument or default meV). Default: 1 meV
-b	Set histogram resolution for binning (in units specified by -unit argument or default meV). Default: 0.1 meV
-lorentz	Use Lorentzian broadening instead of Gaussian Default: False