[QE-users] Electron-phonon with Hubbard U is not supported

[Iurii TIMROV]

Also, have a look at this paper: https://arxiv.org/pdf/2102.06840.pdf


Iurii



--
Dr. Iurii TIMROV
Senior Research Scientist
Theory and Simulation of Materials (THEOS)
Swiss Federal Institute of Technology Lausanne (EPFL)
CH-1015 Lausanne, Switzerland
+41 21 69 34 881
http://people.epfl.ch/265334
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From: users <users-bounces at lists.quantum-espresso.org> on behalf of 526587466 via users <users at lists.quantum-espresso.org>
Sent: Friday, July 30, 2021 9:29:06 AM
To: QEforum
Subject: [QE-users] Electron-phonon with Hubbard U is not supported

Dear Sir,

When performing the electron-phonon coupling calculations by the GGA+U methods, it prints the error "Electron-phonon with Hubbard U is not supported".  So,  the QE6.6 does not support the DFT+U calculations for the electron-phonon coupling calculations, right?

Thanks.

Best regards,

Roc

HTU
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