i can't find where tc is in the epw.out

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wqy1
Posts: 5
Joined: Fri Mar 24, 2023 1:34 am
Affiliation: Graduate student

i can't find where tc is in the epw.out

Post by wqy1 »

Dear everybody,
A simple question is that i wanta konw the Allen-Dynes Tc value. How could i find in epw.out?

gkafle1
Posts: 31
Joined: Wed Jun 17, 2020 8:55 pm
Affiliation: Binghamton University

Re: i can't find where tc is in the epw.out

Post by gkafle1 »

Hi wyq1,

You can find the Allen-Dynes Tc in the epw.out file using the following command

grep "Estimated Allen-Dynes Tc =" epw.out

Best
Gyanu

wqy1
Posts: 5
Joined: Fri Mar 24, 2023 1:34 am
Affiliation: Graduate student

Re: i can't find where tc is in the epw.out

Post by wqy1 »

Firstly,thank you very much for your replying,
then i also have a question whether Estimated Allen-Dynes Tc is diferent when i put diferet tmeps in epw.in.
If so, which is the true Estimated Allen-Dynes Tc?
Thank you again :D :D

gkafle1
Posts: 31
Joined: Wed Jun 17, 2020 8:55 pm
Affiliation: Binghamton University

Re: i can't find where tc is in the epw.out

Post by gkafle1 »

Hi wqy1,
If you look at the attached equation for the Allen-Dynes Tc, the only parameters entering are the isotropic e-ph coupling strength, logarithmic averaged phonon frequency, and semiempirical Coulomb parameter mu*. So, the different temps that you use in epw.in file do not change Allen-Dynes Tc. These temps in epw.in file are the ones for solving isotropic or anisotropic Eliashberg equations to estimate the superconducting gap at the fixed temperatures.

Best
Gyanu
Attachments
Allen-Dynes Tc.jpg
Allen-Dynes Tc.jpg (31.12 KiB) Viewed 1575 times

wqy1
Posts: 5
Joined: Fri Mar 24, 2023 1:34 am
Affiliation: Graduate student

Re: i can't find where tc is in the epw.out

Post by wqy1 »

Thank you for your detailed explanation :D :D :D

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