Search found 62 matches

by simba2828
Fri Aug 08, 2025 1:27 pm
Forum: Running the code
Topic: el-ph matrix elements along some kpath?
Replies: 2
Views: 11190

Re: el-ph matrix elements along some kpath?

Dear Xiaozha,

It is helpful, yes.
Thank you,
by simba2828
Thu Aug 07, 2025 4:56 pm
Forum: Running the code
Topic: el-ph matrix elements along some kpath?
Replies: 2
Views: 11190

el-ph matrix elements along some kpath?

Dear experts,

Is it possible to calculate the electron-phonon matrix elements (g) along some kpath and not on a grid?
Can I give any random k point and EPW calculates the g for the chosen q and k?

Thanks,
Shubham
by simba2828
Thu Aug 07, 2025 4:43 pm
Forum: Running the code
Topic: zero electron-phonon matrix elements |g|
Replies: 2
Views: 10201

Re: zero electron-phonon matrix elements |g|

Okay I found the issue. It was fsthick which was creating the problem.
by simba2828
Thu Aug 07, 2025 3:30 pm
Forum: Running the code
Topic: zero electron-phonon matrix elements |g|
Replies: 2
Views: 10201

Re: zero electron-phonon matrix elements |g|

Could it be because of small negative frequency?
Furthermore, there are six bands in my wannier basis, why the el-ph elements are calculated for the 3rd band only?

Thanks,
Shubham
by simba2828
Thu Aug 07, 2025 3:24 pm
Forum: Running the code
Topic: zero electron-phonon matrix elements |g|
Replies: 2
Views: 10201

zero electron-phonon matrix elements |g|

Dear all, I am trying to calculate the electron-phonon matrix elements |g| using EPW and I am getting all the elements to be zero. Is there any specific reason the g's are zero. There should be any non zero value, however small it is? I am attaching my input file (second step), and in the epw.out ...
by simba2828
Sat Aug 02, 2025 4:22 pm
Forum: Theory
Topic: calculating electron-phonon coupling and gkk
Replies: 2
Views: 29079

Re: calculating electron-phonon coupling and gkk

Dear Shashi, Thank you so much for the tutorials. I also found Lihm's slides there, which are really helpful. Moreover, I wanted to know that if the data stored in the dvscf files is in the momentum space (q) or the real space(r)? After, doing some search I found it is stored in the q space, and ...
by simba2828
Thu Jul 31, 2025 3:32 pm
Forum: Running the code
Topic: Extracting data from dvscf/w_pot files?
Replies: 1
Views: 15223

Extracting data from dvscf/w_pot files?

Dear experts, developers and users, I want to extract data stored in the binary files named `prefix.dvscf_q*`, or w_pot files (dV_scf in real space), which can be used to calculate electron-phonon matrix elements. Is there any way I can read the data stored in those binary files, and/or know the ...
by simba2828
Tue Jul 29, 2025 3:38 pm
Forum: Theory
Topic: calculating electron-phonon coupling and gkk
Replies: 2
Views: 29079

calculating electron-phonon coupling and gkk

Dear experts, I am trying to calculate momentum dependent electron-phonon coupling (EPC) using EPW code, and I came across with the website of EPW documentation https://docs.epw-code.org/doc/Electron-phononCoupling.html, where EPC it is shown how gkk is calculated using dV_scf. Now from the DFT ...
by simba2828
Tue Mar 04, 2025 11:41 am
Forum: Running the code
Topic: Allen dynes formula for Tc is not giving correct lambda from epw calcs
Replies: 8
Views: 65623

Re: Allen dynes formula for Tc is not giving correct lambda from epw calcs

Hi Shashi,
Could you please send me the documentation for EPW, of the corrected formula implemented in EPW? I recently used that formula in one of my paper. A manual in a short page would be enough and helpful.

Thanks,
Shubham
by simba2828
Tue Mar 04, 2025 11:39 am
Forum: Running the code
Topic: memory error in EPW calculations
Replies: 6
Views: 72850

Re: memory error in EPW calculations

Hi SHashi,

I am using EPW 5.6, I will try with the latest version and get back to you.

Thank you