<html><head><meta http-equiv="content-type" content="text/html; charset=utf-8"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;"><div></div><div><br></div><div><div>
<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;"><div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;"><div>Randall Hall (he/him/his)<br>Lillian L.Y. Wang Yin, Ph.D. Endowed Professor of Chemistry<br>Dominican University of California<br>randall.hall@dominican.edu<br>220 Science Center<br>Phone: 415-482-1911<br>Fax: 415-482-1972</div><div><br></div></div><br class="Apple-interchange-newline"></div><br class="Apple-interchange-newline"><br class="Apple-interchange-newline">
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<div><br><blockquote type="cite"><div>On Nov 5, 2023, at 5:15 AM, Davide Ceresoli <davide.ceresoli@cnr.it> wrote:</div><br class="Apple-interchange-newline"><div><div>Dear Randall,<br>it should work with DFT+U. Please, send the input files,<br>I'll have a look.<br><br>Best,<br>D.<br><br>On 11/4/23 15:53, Randall Hall wrote:<br><blockquote type="cite">Greetings,<br>I am trying to use gipaw to calculate the g-tensor for a system with Zn atoms using DFT + U and QE 7.2. If I use the Hubbard U I get a segmentation error at line 389 in orthoatwfc.f90. If I do not use DFT+U the job runs fine. I can send input/output files, but before I go further — should gipaw work with DFT + U?<br>Randy<br>Randall Hall (he/him/his)<br>Lillian L.Y. Wang Yin, Ph.D. Endowed Professor of Chemistry<br>Dominican University of California<br>randall.hall@dominican.edu <mailto:randall.hall@dominican.edu><br>220 Science Center<br>Phone: 415-482-1911<br>Fax: 415-482-1972<br></blockquote>_______________________________________________<br>The Quantum ESPRESSO community stands by the Ukrainian<br>people and expresses its concerns about the devastating<br>effects that the Russian military offensive has on their<br>country and on the free and peaceful scientific, cultural,<br>and economic cooperation amongst peoples<br>_______________________________________________<br>Quantum ESPRESSO is supported by MaX (www.max-centre.eu)<br>users mailing list users@lists.quantum-espresso.org<br>https://lists.quantum-espresso.org/mailman/listinfo/users</div></div></blockquote></div><br></div></body></html>