Hi Paolo, 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.
On Jul 5, 2018, at 9:21 PM, Paolo Costa <[email protected]<mailto:[email protected]>> wrote: Dear all, I am a beginner user of Quantum ESPRESSO. 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". However, when I tried to optimize only the atoms position (relax) I don't get any errors and I have a regular termination. I attached the input files, the output files and the script for running Quantum ESPRESSO. Please, can somebody help me to find out the problem? Thanks. Paolo -- Paolo Costa, Ph.D. Postdoctoral Researcher Department of Chemistry and Biomolecular Sciences University of Ottawa 10 Marie Curie, Ottawa, ON K1N 6N5, Canada Room number: DRO 326 (D'Iorio Hall) _______________________________________________ users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users Will DeBenedetti Cornell University
_______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
