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<div><span style="font-family: Consolas, Courier, monospace;">Dear Quantum ESPRESSO Community,</span><br>
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<span style="font-family: Consolas, Courier, monospace;">I hope this email finds you well. I am writing to seek assistance regarding an issue I have encountered while performing phonon dispersion calculations for a photodoped Bulk MoS2 using Quantum ESPRESSO
version 7.2.</span><br>
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<span style="font-family: Consolas, Courier, monospace;">To provide some context, I have successfully executed vc-relax calculations and subsequent phonon calculations on a grid point for Bulk MoS2. However, when attempting to run q2r.x, I encountered the following
error:</span><br>
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<span style="font-family: Consolas, Courier, monospace;">"Error in routine init (1):</span><br>
<span style="font-family: Consolas, Courier, monospace;">q not allowed"</span><br>
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<span style="font-family: Consolas, Courier, monospace;">Interestingly, when I conducted similar calculations for monolayer MoS2, I successfully obtained the phonon dispersion without any issues.</span><br>
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<span style="font-family: Consolas, Courier, monospace;">Despite attempting to troubleshoot by adjusting grid points, the error persists. For your reference, I have attached the input files I utilized for these calculations.</span><br>
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<span style="font-family: Consolas, Courier, monospace;">I am reaching out to the community in the hope that someone may have insights or suggestions on how to resolve this specific issue. Has anyone else faced a similar challenge with phonon dispersion calculations
for bulk systems in QE 7.2? Your guidance and expertise would be invaluable.</span></div>
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<p><span style="font-family: Consolas, Courier, monospace;">Best regards,</span></p>
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<span style="font-family: Consolas, Courier, monospace;"></span><span style="font-family:"Times New Roman",Times,serif"></span><span style="font-family:Cambria,Georgia,serif"></span><span style="font-family:"Times New Roman",Times,serif"></span><span style="font-family: Consolas, Courier, monospace;"></span>
<p><span style="font-family:"Comic Sans MS",Chalkboard,cursive"><span style="font-family: Consolas, Courier, monospace;">Mukhtar Lawan</span></span></p>
<p><span style="font-family:"Comic Sans MS",Chalkboard,cursive"><span style="font-family: Consolas, Courier, monospace;"><br>
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<p><span style="font-family:"Comic Sans MS",Chalkboard,cursive"><span style="font-family: Consolas, Courier, monospace;">Doctoral Student at the Theory group of Prof. Dr. Angel Rubio,<br>
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<p><span style="font-family:"Comic Sans MS",Chalkboard,cursive"><span style="font-family: Consolas, Courier, monospace;">Max Planck Institute for Structure and Dynamics of Matter,</span></span></p>
<p><span style="font-family:"Comic Sans MS",Chalkboard,cursive"><span style="font-family: Consolas, Courier, monospace;">Luruper Chaussee 149, 22761 Hamburg, Germany<br>
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<p><span style="font-family:"Comic Sans MS",Chalkboard,cursive"><span style="font-family: Consolas, Courier, monospace;">mukhtar.lawan@mpsd.mpg.de<br>
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