<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;">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<div><br><div><div dir="auto" style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;"><div dir="auto" style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Randall Hall (he/him/his)<br>Lillian L.Y. Wang Yin, Ph.D. Endowed Professor of Chemistry<br>Dominican University of California<br><a href="mailto:randall.hall@dominican.edu">randall.hall@dominican.edu</a><br>220 Science Center<br>Phone: 415-482-1911<br>Fax: 415-482-1972</div></div></div></div><div>
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