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Use what='scf_disp'. See example04. These quantities
are calculated after the phonon dispersion for the default
temperature range (
1
K -
800
K) or for the range
given in the THERMO_PW input. The figure of these quantities is in the file
output_therm.g1.ps.
Note that they are calculated at the geometry given in the input
of pw.x.
2024-02-14