[Pw_forum] Projected Bands Using QE
Ajit Kumar Jena
jenapsi at gmail.com
Tue Apr 8 17:31:46 CEST 2014
Prof. Thomas Brumme and Prof. Guido Fratesi. Thanks a lot for
your informative reply.
On Tue, Apr 8, 2014 at 3:39 PM, Guido Fratesi <fratesi at mater.unimib.it>wrote:
> Also: espresso/PP/examples/example02/reference/kpdos_dw.png
> On 04/08/2014 10:26 AM, Thomas Brumme wrote:
> > Using projwfc.x you can set the input parameter kresolveddos to .true.
> > From INPUT_PROJWFC.txt
> > kresolveddos LOGICAL
> > Default: .false.
> > if .true. the k-resolved DOS is computed: not summed over
> > all k-points but written as a function of the k-point index.
> > In this case all k-point weights are set to unity
> > I never used this but this should be what you're searching for...
> > Thomas
> > On 04/07/2014 07:58 PM, Ajit Kumar Jena wrote:
> >> Dear all,
> >> Can any one please help me, how to do atomic projections
> >> for band structures like we do for projected DOS. I am sorry if it is
> >> very trivial .
> >> Thanks & Regards,
> >> Ajit,
> >> IIT Madras
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> Pw_forum at pwscf.org
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