[QE-users] vdw function with e-ph?

zhouchao 994646659 at qq.com
Mon Jun 26 03:42:01 CEST 2023


Dear QE Developer,


I hope you are doing well. I am writing to inquire about the possibility of using the vdW-DF functional to calculate electron-phonon coupling in Quantum ESPRESSO. I have attempted to do so, but have encountered a segmentation fault error (SIGSEGV).


I would greatly appreciate any guidance on whether vdW functionals are compatible with electron-phonon coupling calculations in QE, and if yes, any advice on how to proceed to avoid the aforementioned error.


Thank you very much for your time and assistance.


Best regards,


zhouchao
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