[Pw_forum] DOS virtual band calculations

Stefano de Gironcoli degironc at sissa.it
Sun May 3 10:24:28 CEST 2009


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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