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Hi Paolo,

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<div class="">Your attachments were scrubbed. Can you upload them somewhere so I/we can take a look? I have worked extensively with bulk anatase and anatase slabs in QE.<br class="">

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<div class="">On Jul 5, 2018, at 9:21 PM, Paolo Costa <<a href="mailto:paolo.costa85@gmail.com" class="">paolo.costa85@gmail.com</a>> wrote:</div>

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<div class=""><span style="font-size:12.8px" class="">Dear all,</span><br class="">

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I am a beginner user of Quantum ESPRESSO. </div>

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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>

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However, when I tried to optimize only the atoms position (relax) I don't get any errors and I have a regular termination. </div>

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I attached the input files, the output files and the script for running Quantum ESPRESSO.</div>

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Please, can somebody help me to find out the problem?</div>

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Thanks.</div>

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Paolo</div>

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<div dir="ltr" class="">Paolo Costa, Ph.D.

<div class="">Postdoctoral Researcher</div>

<div class="">Department of Chemistry and Biomolecular Sciences</div>

<div class="">University of Ottawa</div>

<div class="">10 Marie Curie, Ottawa, ON K1N 6N5, Canada</div>

<div class="">Room number: DRO 326 (D'Iorio Hall)</div>

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_______________________________________________<br class="">

users mailing list<br class="">

<a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class="">

https://lists.quantum-espresso.org/mailman/listinfo/users</div>

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<div class="">Will DeBenedetti</div>

<div class="">Cornell University</div>

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