________________________________ Od: Timon Moško Odoslané: utorok 24. mája 2022 7:27 Komu: users@lists.quantum-espresso.org <users@lists.quantum-espresso.org> Predmet: Phonon calculation
Hello, I am not sure wheter this is the right place to ask such a question, but I have found it as the official adress , so here I am. I am doing phonon calculations for TaSi2N4 monolayer structure (ph.x input supplemented) and end up with empty file for dynamic matrix. I run the ph.x by this command on qe 7.0 : source /opt/intel/oneapi/setvars.sh EXEC=/home/gmitra/CODES/espresso/versions/qe-7.0/bin mpiexec -np 32 $EXEC/ph.x -i ph.in > ph.out & I have red about problems with running with images, but as you can see, there are no images incorporated in my script. At the end of the job I have dynmat_...xml files in my output folder, but I end up with plain .dyn file in the folder where the script is run. This is the first time I am doing phonon calculations on my own (undergraduate studnet) so I am really sorry if I am asking something trivial. I haven´t met with this problem while doing tutorial examples. Thanks for your help and wish a nice day! Timon Moško
ph.in
Description: ph.in
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