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i can't find where tc is in the epw.out
Posted: Sun Apr 09, 2023 7:58 am
by wqy1
Dear everybody,
A simple question is that i wanta konw the Allen-Dynes Tc value. How could i find in epw.out?
Re: i can't find where tc is in the epw.out
Posted: Mon Apr 10, 2023 1:32 pm
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
Re: i can't find where tc is in the epw.out
Posted: Tue Apr 11, 2023 6:46 am
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
Re: i can't find where tc is in the epw.out
Posted: Tue Apr 11, 2023 1:50 pm
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
Re: i can't find where tc is in the epw.out
Posted: Wed Apr 12, 2023 12:36 am
by wqy1