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nbndssub

Posted: Thu Sep 07, 2017 6:32 am
by nadeemnatt
Hi
how can I know the reasonable number nbndsub. should it be the same as number of bands in nscf calculation? Thanks

Regards
Nadeem

Re: nbndssub

Posted: Thu Sep 07, 2017 9:13 am
by carla.verdi
Dear Nadeem,

nbndsub is the number of wannierized bands (in practice it is equivalent to num_wann of wannier90); for some comprehensive guidance you can refer to the wannier90 documentation and tutorials http://wannier.org/user_guide.html

Best,
Carla

Re: nbndssub

Posted: Sat Sep 16, 2017 4:26 am
by nadeemnatt
Thank you Carla It helped me to understand many things.