[Pw_forum] Problem in spin polarisation
Stefano de Gironcoli
degironc at sissa.it
Fri Sep 11 14:24:18 CEST 2009
I think that in this case you need to explicitly specify also the value
for nelec because a test that 0<=nelup< =nelec
is performed before the default for nelec is calculated.
It should be fixed but it is not so straightforward as the default value
is presently defined much later.
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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