<meta http-equiv="Content-Type" content="text/html; charset=GB18030"><div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px;">Hi, Dr. BOUAFIA</span></div><div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 16px;">You need to use libxc by specifying input_dft in your input file. </span></div><div><font face="Arial" size="2">Regards</font></div><div><hr align="left" style="margin: 0 0 10px 0;border: 0;border-bottom:1px solid #E4E5E6;height:0;line-height:0;font-size:0;padding: 20px 0 0 0;width: 50px;"><div style="font-size:14px;font-family:Verdana;color:#000;"><p><font face="Arial" size="2">Jibiao Li</font></p><p><font face="Arial" size="2">Department of Materials Science and Engineering</font></p><p><font face="Arial" size="2">Yangtze Normal University</font></p><p><font face="Arial" size="2">Juxian Avenue 16, Fuling, Chongqing, China 408100</font></p><p><font face="Arial" size="2"></font></p><p><font face="Arial" size="2">Scopus Research ID: <a href="https://www.scopus.com/authid/detail.uri?authorId=54944118000"><font face="Arial"><font face="Arial"><font face="Arial"><font face="Arial">54944118000</font></font></font></font></a></font></p><p><font face="Arial" size="2">Web of Science Research ID: <span style="letter-spacing: inherit; text-align: inherit; text-transform: inherit; white-space: pre-wrap;">http://www.webofscience.com/wos/author/record/</span>GLS-7259-2022</font></p><p><font face="Arial" size="2" style="font-family: Arial; font-size: small; margin: 0px; padding: 0px; border: 0px; outline-style: initial; outline-width: 0px; font-variant-numeric: inherit; font-variant-east-asian: inherit; font-stretch: inherit; line-height: inherit; vertical-align: top; -webkit-font-smoothing: antialiased; white-space: normal; color: rgb(0, 0, 0) !important;"><font face="Arial"><font face="Arial"><span style="font-style: inherit; font-variant: inherit; font-weight: inherit; font-stretch: inherit; line-height: inherit; margin: 0px; padding: 0px; border: 0px; outline: 0px; vertical-align: top; -webkit-font-smoothing: antialiased;"><a href="https://publons.com/researcher/2283103/jibiao-li/" title="https://publons.com/researcher/2283103/jibiao-li/" target="_blank"></a></span></font></font></font><br></p></div></div><div> </div><div style="position: relative;"><div><br></div><div><br></div><div style="font-size: 12px;font-family: Arial Narrow;padding:2px 0 2px 0;">------------------ Original ------------------</div><div style="font-size: 12px;background:#efefef;padding:8px;"><div><b>From:</b> "Quantum ESPRESSO users Forum" <hamza_bouafia@hotmail.com>;</div><div><b>Date:</b> Fri, Jun 2, 2023 04:27 AM</div><div><b>To:</b> "users@lists.quantum-espresso.org"<users@lists.quantum-espresso.org>;<wbr></div><div></div><div><b>Subject:</b> [QE-users] r2SCAN</div></div><div><br></div>
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Hi,</div>
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How to perform Mgga (r2SCAN) calculations using QE (I Have already compiled QE with LIBXC)</div>
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Sincerely</div>
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H. BOUAFIA</div>
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<p>Envoy¨¦ ¨¤ partir d¡¯<a href="http://aka.ms/weboutlook">Outlook</a><br>
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