[QE-users] Raman Spectra with hybrid functional

Lorenzo Paulatto paulatz at gmail.com
Tue Jul 21 21:32:37 CEST 2020


Hello Sandeep,
This is not implement in QE (and as far as I know, in no other code either)

Kind regards

-- 
Lorenzo Paulatto

On Tue, 21 Jul 2020, 18:06 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
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200721/f6f5cc1d/attachment.html>


More information about the users mailing list