[QE-users] [SPAM] phonon band projection on atom

Lorenzo Paulatto paulatz at gmail.com
Thu Aug 12 10:23:27 CEST 2021


I think there is an option in matdyn to do it, at least for the PhDOS,
check the header of matdyn.f90 for sine documentation. I've also
implemented it in the d3_r2q.x, I've not documented it anywhere yet, I
think, but I may provide an example if interested

-- 
Lorenzo Paulatto

On Wed, Aug 11, 2021, 16:19 526587466--- via users <
users at lists.quantum-espresso.org> wrote:

> Dear Sir,
>
> How to obtain the phonon band projected on each atom by QE 6.6 ?
>
>
> Thanks.
>
> Best regards,
>
> Roc
>
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