[Pw_forum] Error in DOS calculation ( Spin orbit coupling )

[Anik Mondol]

Thank you Vahid Askarpour

On Mon, Jan 29, 2018 at 4:30 AM, Vahid Askarpour <vh261281 at dal.ca> 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 <anikmondol1206 at gmail.com>
> wrote:
> >
> > <nscf.out>
>
>
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