Thank you Vahid Askarpour On Mon, Jan 29, 2018 at 4:30 AM, Vahid Askarpour <[email protected]> wrote:
> You have a total of 36 electrons. This means 18 bands without spin-orbit > and 36 bands with spin-orbit for the valence states. Your scf.out specifies > 44 bands in total (36 valence+8 conduction). But in your nscf.in, you > specify nbnd=26. > > Maybe if you leave out the nbnd in nscf.in, you avoid this problem. > > Cheers, > > Vahid > > Vahid Askarpour > Department of Physics and Atmospheric Science > Dalhousie University, > Halifax, NS, Canada > > > On Jan 28, 2018, at 2:50 PM, Anik Mondol <[email protected]> > wrote: > > > > <nscf.out> > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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