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
