[Pw_forum] DOS virtual band calculations

[Jonas Baltrusaitis]

Thanks, but how do I define virtuals? Nbnd defines number of total bands

jonas


--- On Sun, 5/3/09, Stefano de Gironcoli <degironc at sissa.it> wrote:

> From: Stefano de Gironcoli <degironc at sissa.it>
> Subject: Re: [Pw_forum] DOS virtual band calculations
> To: jasius_1 at yahoo.com, "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Sunday, May 3, 2009, 1:24 AM
> You can use nbnd in pw.x input to define the number of bands
> to be calculated.
> Stefano de Gironcoli - SISSA and DEMOCRITOS
> 
> 
> Jonas Baltrusaitis wrote:
> > Hi,
> > 
> > in DOS calculations manual I couldn't find
> anything mentioned related on empty band calculations. So my
> question is: how do I add virtual (empty) band DOS
> calculation or is it done by default? Is there a way to
> specify empty bands included in calculations? I would like
> to have both occupied and virtual DOS calculated
> > thanks
> > Jonas Baltrusaitis
> > University of Iowa
> > 
> > 
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