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<div style="font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; color: rgb(0, 0, 0);">Dear Koyendrila,</span></div>
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<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; color: rgb(0, 0, 0);">The electron-phonon calculation with Hubbard U corrections is implemented but not extensively tested, that's why it is disabled.
You can enable it, test it, and use it if the tests are ok. </span></div>
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<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; color: rgb(0, 0, 0);">Greetings,</span></div>
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<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; color: rgb(0, 0, 0);">Iurii</span></div>
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Dr. Iurii TIMROV</div>
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Tenure-track scientist</div>
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Laboratory for Materials Simulations (LMS)</div>
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Paul Scherrer Institute (PSI)</div>
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CH-5232 Villigen, Switzerland</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Koyendrila Debnath via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Thursday, October 30, 2025 09:38<br>
<b>To:</b> users@lists.quantum-espresso.org <users@lists.quantum-espresso.org><br>
<b>Subject:</b> [QE-users] Electron-Phonon calculation with Hubbard-U in QE</font>
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<div><font size="4" style="font-family:arial,sans-serif">Dear Users,</font></div>
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<div><font size="4" style="font-family:arial,sans-serif">I am attempting to calculate electron-phonon coupling (EPC) within the GGA+U framework using Quantum ESPRESSO (v7.4.1). However, I encounter the following error:</font></div>
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<p><font size="4" style="font-family:arial,sans-serif"><em>Error in routine phq_readin (1): Electron-phonon with Hubbard U is not supported</em></font></p>
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<p><font size="4" style="font-family:arial,sans-serif">Could anyone please advise whether EPC calculations with Hubbard-U are currently supported in QE, or if a specific version or modification (e.g., to pseudopotentials or code) is required?</font></p>
<p><font size="4" style="font-family:arial,sans-serif">Warm regards,</font></p>
<p><font size="4"><span style="font-family:arial,sans-serif">Koyendrila</span></font></p>
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