[QE-users] Raman Spectra with hybrid functional

[Timrov Iurii]

Dear Sandeep,


> Is it implemented in QE?


No, it is not.


Regards,

Iurii


--
Dr. Iurii Timrov
Postdoctoral Researcher
STI - IMX - THEOS and NCCR - MARVEL
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Sandeep KUMAR <sandeepk.phy at gmail.com>
Sent: Tuesday, July 21, 2020 6:05:39 PM
To: users at lists.quantum-espresso.org
Subject: [QE-users] Raman Spectra with hybrid functional

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
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