Hi, Dr. BOUAFIA
You need to use libxc by specifying input_dft in your input file.
Regards
Jibiao Li
Department of Materials Science and Engineering
Yangtze Normal University
Juxian Avenue 16, Fuling, Chongqing, China 408100
Scopus Research ID: 54944118000
Web of Science Research
ID: http://www.webofscience.com/wos/author/record/GLS-7259-2022
------------------ Original ------------------
From:
"Quantum ESPRESSO users Forum"
<hamza_boua...@hotmail.com>;
Date: Fri, Jun 2, 2023 04:27 AM
To: "users@lists.quantum-espresso.org"<users@lists.quantum-espresso.org>;
Subject: [QE-users] r2SCAN
Hi,
How to perform Mgga (r2SCAN) calculations using QE (I Have already compiled
QE with LIBXC)
Sincerely
H. BOUAFIA
Envoy?? ?? partir d??Outlook
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