<div dir="ltr"><div><span style="font-size:12.8px">Dear all,</span><br></div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><br></div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">I am a beginner user of Quantum ESPRESSO. </div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">I am trying to optimize the cell unit of anastase (vc-relax) TiO2 but I get always the same error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred".</div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">However, when I tried to optimize only the atoms position (relax) I don't get any errors and I have a regular termination. </div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">I attached the input files, the output files and the script for running Quantum ESPRESSO.</div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><br></div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">Please, can somebody help me to find out the problem?</div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><br></div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">Thanks.</div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial"><br></div><div style="font-size:12.8px;text-decoration-style:initial;text-decoration-color:initial">Paolo</div>

-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Paolo Costa, Ph.D.<div>Postdoctoral Researcher</div><div>Department of Chemistry and Biomolecular Sciences</div><div>University of Ottawa</div><div>10 Marie Curie, Ottawa, ON K1N 6N5, Canada</div><div>Room number: DRO 326 (D'Iorio Hall)</div></div></div>
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