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Use what='scf_bands'. See example02.
With this option THERMO_PW calls
pw.x twice, making first a self-consistent calculation with
the parameters
given in the pw.x input and then a band calculation along a
path chosen by THERMO_PW, or along a path given by the user
after the INPUT_THERMO namelist. In this case the path is given as
in the pw.x input (see the user's guide for additional details).
There are a few parameters that you can give in the INPUT_THERMO namelist to control the band plot. The most useful are
emin_input and emax_input that allow you to plot the
bands in a given energy range. At the end of the run, the figure of
the bands is in a file called by default output_band.ps, a name
that can be changed in the THERMO_PW input.
Check also the option what='scf_2d_bands'
to plot the surface band structure.
Next: 1.3 How do I
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2024-02-14