[QE-users] Raman Spectra with hybrid functional

Sandeep KUMAR sandeepk.phy at gmail.com
Tue Jul 21 20:49:44 CEST 2020


Thanks Iurii for information.

best,

Sandeep

On Tue, Jul 21, 2020 at 6:05 PM Sandeep KUMAR <sandeepk.phy at gmail.com>
wrote:

> Dear QE users,
> I have calculated Raman and IR spectra for ZnO and CO2,  examples provided
> by QE and I think QE works well for semi-local functionals but I am
> wondering about the hybrid functionals for Raman spectra. Is it implemented
> in QE? Can someone let me know about it?
>
> Thanks and regards
>
> Sandeep
>
>
> --
> Dr. Sandeep Kumar (Postdoctoral Research Fellow)
> Physics and Materials Science Research Unit
> University of Luxembourg
> 162a, avenue de la Faïencerie
> L-1511 Luxembourg
>


-- 
Dr. Sandeep Kumar (Postdoctoral Research Fellow)
Physics and Materials Science Research Unit
University of Luxembourg
162a, avenue de la Faïencerie
L-1511 Luxembourg
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