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. Bests, Riemann -- Physics Department of Damghan University Tel : +98 938 903 6759 P.O.Box:36716-41167 Damghan, Iran
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
