<html><head><meta http-equiv="content-type" content="text/html; charset=us-ascii"></head><body style="overflow-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Dear Davide,<div> Hopefully I am replying to the correct email address. The files I am sending are are a modification of an input file studying a ZnO surface with a bound organic molecule, with has the segmentation error. For simplicity, I removed all atoms except a single Zn atom and left all other parameters untouched. I attach 5 files</div><div><br></div><div>1. <span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);">trial.epr.scf.withoutDFT+U.in, the input file with the Hubbard DFT+U lines commented out</span></div><div><span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);"> </span><span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);">!HUBBARD (ortho-atomic)</span></div><p style="margin: 0px; font-stretch: normal; font-size: 15px; line-height: normal; font-family: Menlo; font-size-adjust: none; font-kerning: auto; font-variant-alternates: normal; font-variant-ligatures: normal; font-variant-numeric: normal; font-variant-east-asian: normal; font-variant-position: normal; font-feature-settings: normal; font-optical-sizing: auto; font-variation-settings: normal; background-color: rgb(253, 245, 208);"><span style="font-variant-ligatures: no-common-ligatures;"> !U Zn-3d 5.2</span></p><div>2. <span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);">trial.epr.scf.withDFT+U.in, the input file using the Hubb ard DFT+U lines</span></div><div><span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);">3. </span><span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);">trial.epr.withoutDFT+U.out, the output file that runs succesfully</span></div><div><span style="font-family: Menlo; font-size: 15px; background-color: rgb(253, 245, 208);">4. </span><span style="background-color: rgb(253, 245, 208);"><font face="Menlo"><span style="font-size: 15px;">trial.epr.withoutDFT+U.out, the output file that stops during gipaw. I appended the system error message to this file</span></font></span></div><div><span style="background-color: rgb(253, 245, 208);"><font face="Menlo"><span style="font-size: 15px;">5. trial.epr.gtensor.in, the input file for gipaw.</span></font></span></div><div><br></div><div>The job is run on 40 cores using the intel compiler to make qe and gipaw.</div><div><br></div><div>Please let me know if you have any questions and thank you.</div><div>Randy</div><div><br></div><div></div></body></html>