[Pw_forum] Projected Bands Using QE

Thomas Brumme Thomas.Brumme at impmc.upmc.fr
Tue Apr 8 10:26:34 CEST 2014

Using projwfc.x you can set the input parameter kresolveddos to .true.


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...


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

Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris

Tel:  +33 (0) 1 442 77204

email: Thomas.Brumme at impmc.upmc.fr

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