[Pw_forum] toothed and noisy bands

Riemann Derakhshan riemann.derakhshan at gmail.com
Tue Feb 27 11:00:41 CET 2018

Dear all,

Hope you are doing well.

During my calculations, I've faced a strange thing. My considered system is
a 2D sheet which is placed on TiO2 surface. I've calculated a band
structure of the mentioned system and in the absence of spin-orbit
interaction everything was normal but after turning the spin-orbit
interaction on, bands above Fermi level becomes toothed and noisy while
bands in below of Fermi level are normal. At the end, I should mention that
in my calculations in the presence of spin-orbit interaction the number of
bands is about 600 ( nbnd  = 580). Would you do me a favor by providing me
with a guidance to fix this issue? it would be a great help and I'll
appreciate it.


Physics Department of Damghan University
Tel : +98 938 903 6759
Damghan, Iran
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