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<div><span></span></div><blockquote style="margin-top: 0px; margin-bottom: 0px; margin-left: 0.5em;"><div>You can check the tutorial example for phonon calculation. After running ph.x, there are further steps to obtain phonon dispersion or vibration information.</div><div><br></div><div>Regares</div>
<div>________________________________</div>
<div>Od: Timon Mo?ko</div>
<div>Odoslan?: utorok 24. m?ja 2022 7:27</div>
<div>Komu: users@lists.quantum-espresso.org <users@lists.quantum-espresso.org></div>
<div>Predmet: Phonon calculation</div>
<div> </div>
<div>Hello,</div>
<div>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.</div>
<div>I am doing phonon calculations for TaSi2N4 monolayer structure (ph.x input supplemented) and end up with empty file for dynamic matrix.</div>
<div> I run the ph.x by this command on qe 7.0 :</div>
<div> </div>
<div> source /opt/intel/oneapi/setvars.sh</div>
<div> EXEC=/home/gmitra/CODES/espresso/versions/qe-7.0/bin</div>
<div> mpiexec -np 32 $EXEC/ph.x -i ph.in > ph.out &</div>
<div> </div>
<div> </div>
<div>I have red about problems with running with images, but as you can see, there are no images incorporated in my script.</div>
<div>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.</div>
<div>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.</div>
<div>I haven?t met with this problem while doing tutorial examples.</div>
<div> </div>
<div>Thanks for your help and wish a nice day!</div>
<div>Timon Mo?ko</div>
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