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Hi,</div>
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I am trying to comput the phonon dispersion, but i am getting the following error when running ph.x:</div>
<pre><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"> Error in routine offset_atom_wfc (1):
Hubbard manifold with zero occupations is not allowed
SCF runs correctly and completes fine.</div></pre>
<pre><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">As I follow the solution provided in <a href="https://lists.quantum-espresso.org/pipermail/users/2022-September/049504.html" id="LPlnk475422">https://lists.quantum-espresso.org/pipermail/users/2022-September/049504.html</a> and exchange the Cu and Fe order in the ATOMIC_SPECIES tag in the scf calculation, and run the file again, this error is still there.</div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><br></div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I am using v7.2. Sample input to reproduce the error is located here: <a href="https://drive.google.com/drive/folders/1_rEVyhO4BtyFJPLzbQiAXUljBaG6YAZo?usp=sharing" id="LPlnkOWA04479944-f581-251b-7ca6-dcb37600e48a" class="OWAAutoLink">https://drive.google.com/drive/folders/1_rEVyhO4BtyFJPLzbQiAXUljBaG6YAZo?usp=sharing</a></div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><br></div><pre><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I am not sure if this is a bug or user error on my part.
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Thank you for your help!</div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Weng</div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"><br></div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Shih-Han Weng</div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Research assistant, Institute of Atomic and Molecule Science, Taiwan</div><div class="elementToProof" style="text-align: left; text-indent: 0px; white-space: pre-wrap; font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Incoming PhD, Department Chemistry, California Institute of Technology</div></pre></pre>
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