[QE-users] Raman Spectra with hybrid functional

[Sandeep KUMAR]

Dear Lorenzo,

Thanks for the response. But Raman and IR spectra calculations are
implemented in CRYSTAL17 code but only for PBE0 and B3LYP.

kind regards

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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