Page 1 of 1
integrated electron-phonon coupling strength λ
Posted: Sat Oct 31, 2020 2:31 pm
by anyipeng
Dear Sir,
As follwing the example of MgB2 (
https://docs.epw-code.org/doc/MgB2.html) by QE 6.6, how to obtain the data of integrated electron-phonon coupling strength λ to plot the Fig. 2?
Thanks.
Re: integrated electron-phonon coupling strength λ
Posted: Sat Oct 31, 2020 2:54 pm
by hpaudya1
Hi anyipeng,
This is obtained as;
λ=∫(2 α^2
F(ω))/ω dω
where,
ω is 1st column of MgB2.a2f
α^2
F(ω) is 2nd column of MgB2.a2f (for the 1st smearing value and 3rd, 4th, ... up to 10 smearing values)
This is already updated in the development version of EPW (
https://gitlab.com/QEF/q-e)
Please note that we should sign the posts with names and affiliations.
Best,
Hari Paudyal
Re: integrated electron-phonon coupling strength λ
Posted: Sun Nov 01, 2020 7:52 am
by anyipeng
Thank you, Dr. Paudyal.
The development-version works now.
Thanks again. I am new user of QE and EPW.
anyipeng