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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>Od:</b> Timon Moko<br>
<b>Odoslané:</b> utorok 24. mája 2022 7:27<br>
<b>Komu:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Predmet:</b> Phonon calculation</font>
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<div class="x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
Hello,</div>
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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 class="x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
I am doing phonon calculations for TaSi2N4 monolayer structure (ph.x input supplemented) and end up with empty file for dynamic matrix. </div>
<div class="x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
I run the ph.x by this command on qe 7.0 :</div>
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source /opt/intel/oneapi/setvars.sh
<div class="x_elementToProof"> EXEC=/home/gmitra/CODES/espresso/versions/qe-7.0/bin</div>
<div> mpiexec -np 32 $EXEC/ph.x -i ph.in > ph.out &</div>
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<div class="x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
I have red about problems with running with images, but as you can see, there are no images incorporated in my script. </div>
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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>
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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>
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I haven´t met with this problem while doing tutorial examples.</div>
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Thanks for your help and wish a nice day!</div>
<div class="x_elementToProof" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt; color:rgb(0,0,0)">
Timon Moko</div>
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