[QE-users] the units of the phonon linewidth

Ramesh Kumar Kamadurai rkamadur at gitam.edu
Wed Nov 29 16:08:09 CET 2023


Dear ZhouChao
The units for phonon linewidth are expressed in GHz in elph.gamma.X files
but in gam.lines files it is expressed as THz units.
Regards
Ramesh
GITAM, Vizag, India

On Wed, Nov 29, 2023 at 7:33 PM zhouchao via users <
users at lists.quantum-espresso.org> wrote:

> Dear Quantum ESPRESSO Experts,
>
> I hope this message finds you well. I am writing to seek clarification on
> the units of the phonon linewidth, specifically within the elph.gamma*
> output in Quantum ESPRESSO.
>
> Could you kindly confirm whether the units of the phonon linewidth in
> elph.gamma* are expressed in THz? I have been using the formula λqv = γqv
> / (πhN(EF)Ωqv^2) to calculate the electron-phonon coupling constant for a
> specific mode, and I obtained a value of 28 for λqv. I would appreciate
> your expertise in assessing the reasonableness of this result.
>
> Your guidance on this matter would be immensely valuable to my research,
> and I thank you in advance for your time and assistance.
>
> Best regards,
>
> zhouchao
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