[Pw_forum] Problem in spin polarisation

[Duy Le]

Add nelec to input
Please just reply instead of creating a new email starting with "In one of
my previous mail" so that all your emails and communications are ordered in
the same thread.

:-)

On Fri, Sep 11, 2009 at 8:05 AM, Stefano de Gironcoli <degironc at sissa.it>wrote:

> 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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> >
>
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-- 
--------------------------------------------------
Duy Le
PhD Student
Department of Physics
University of Central Florida.
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