[QE-users] the units of the phonon linewidth

[Chiara Cignarella]

Dear zhouchao,


in the output file of ph.out with 'electron_phonon'= 'interpolated' or 'simple' you should already have the values of both gamma and lambda, with the corresponding unit of measure. You can find the same information inside elph_dir/elph.inp_lambda*, one for each q point.


Note that gamma has the unit of measure of frequency, and in QE is reported in GHz, while lambda is adimensional.


Hope this help


Best

Chiara Cignarella

PhD student

EPFL - THEOS

________________________________
Da: users <users-bounces at lists.quantum-espresso.org> per conto di zhouchao via users <users at lists.quantum-espresso.org>
Inviato: mercoledì 29 novembre 2023 15:02:23
A: users
Oggetto: [QE-users] the units of the phonon linewidth


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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