[QE-users] dos.x does not show all the bands

Sergei Butorin sergei.butorin at physics.uu.se
Mon Nov 15 14:27:33 CET 2021


dos.x in QE 6.8 does not show all the bands in the case of non-spin polarized calculations with SOC when bz_sum= 'tetrahedra' or 'tetrahedral_opt' is chosen. In contrast, it shows all the bands for the Gaussian broadening option when degauss is set to some value. That is easy to see when a wide energy range, e.g. from Emin =-20 to Emax=20, with a small energy step is chosen.

Best regards,
Dr. Sergei Butorin
Uppsala University
Sweden









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