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<div class="elementToProof">In the latest version of QE, Can I calculate Electron-phonon coulpiong with Hubbard U?</div>
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Yes, you can try that with the native e-ph+U code implemented in QE. But you need to comment out the lines in the phq_readin.f90 routine that disable this feature (lines 778-779 in v7.4). This implementation has not been tested extensively, that's why it is
still disabled by default. </div>
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e-ph+U can be also computed using the PERTURBO code: <a href="https://perturbo-code.github.io/" id="LPlnk761273">
https://perturbo-code.github.io/</a></div>
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Here are a couple of representative papers: </div>
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<a href="https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.127.126404" id="LPlnk677509">https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.127.126404</a></div>
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<a href="https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.7.L012073" id="LPlnk447605">https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.7.L012073</a></div>
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Greetings,</div>
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Iurii</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 Institut (PSI)</div>
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CH-5232 Villigen, Switzerland</div>
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+41 56 310 62 14</div>
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<a href="https://www.psi.ch/en/lms/people/iurii-timrov" target="_blank" id="OWAb4f0dfcf-8ddc-d127-282f-0a432e63297d" class="OWAAutoLink" rel="noopener noreferrer" data-linkindex="0" data-auth="NotApplicable">https://www.psi.ch/en/lms/people/iurii-timrov</a></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 308481662 via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Monday, April 28, 2025 11:14<br>
<b>To:</b> users <users@lists.quantum-espresso.org><br>
<b>Subject:</b> [QE-users] [SPAM] Electron-phonon coulpiong with Hubbard U</font>
<div> </div>
</div>
<div>Dear QE community:
<div>In the latest version of QE, Can I calculate Electron-phonon coulpiong with Hubbard U?</div>
<div>Thanks for your help.</div>
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