Dear Xiaozha,
It is helpful, yes.
Thank you,
Search found 62 matches
- Fri Aug 08, 2025 1:27 pm
- Forum: Running the code
- Topic: el-ph matrix elements along some kpath?
- Replies: 2
- Views: 11190
- 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
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
- 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.
- 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
Furthermore, there are six bands in my wannier basis, why the el-ph elements are calculated for the 3rd band only?
Thanks,
Shubham
- 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 ...
- 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 ...
- 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 ...
- 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 ...
- 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
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
- 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
I am using EPW 5.6, I will try with the latest version and get back to you.
Thank you