[Pw_forum] Problem in spin polarisation

Stefano de Gironcoli degironc at sissa.it
Fri Sep 11 14:05:20 CEST 2009


what is your value for nbnd ?
stefano

Shaptrishi Sharma wrote:
> Hi QE users,
>
> In one of my previous mail, I have asked about the spin polarisation 
> in a sytem having odd number of electrons , (I have 21 hydrogen atoms 
> in my system ).
>
> As suggested I used nelup =11 and neldw = 10, however, it is showing 
> me the same error, as
>
> nelp out of range.
> so what shall I do now??
>
> Thanks
>
> SS
>
>
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