[QE-users] Electron-Phonon calculation with Hubbard-U in QE

[Timrov, Iurii]

Dear Koyendrila,

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.

Greetings,
Iurii

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Dr. Iurii TIMROV
Tenure-track scientist
Laboratory for Materials Simulations (LMS)
Paul Scherrer Institute (PSI)
CH-5232 Villigen, Switzerland
Profile: www.psi.ch/en/lms/people/iurii-timrov<https://www.psi.ch/en/lms/people/iurii-timrov>
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Koyendrila Debnath via users <users at lists.quantum-espresso.org>
Sent: Thursday, October 30, 2025 09:38
To: users at lists.quantum-espresso.org <users at lists.quantum-espresso.org>
Subject: [QE-users] Electron-Phonon calculation with Hubbard-U in QE

Dear Users,

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:

Error in routine phq_readin (1): Electron-phonon with Hubbard U is not supported

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?

Warm regards,

Koyendrila

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