Search found 8 matches

by animeshd
Tue Feb 25, 2025 11:06 pm
Forum: General discussion
Topic: Reading electron-phonon matrix elements file by EPW
Replies: 7
Views: 90686

Re: Reading electron-phonon matrix elements file by EPW

Hi, Yes I understand that the number of k points will be different. So the nkf and nqf grids are generated from kmesh.pl which stays the same irrespective of the number of processes that I am using. So in the ephmat1 file , the first el-ph matrix element should be the value for the 1st kpoint(from ...
by animeshd
Mon Feb 24, 2025 7:36 pm
Forum: General discussion
Topic: Reading electron-phonon matrix elements file by EPW
Replies: 7
Views: 90686

Re: Reading electron-phonon matrix elements file by EPW

Hi, Thanks for the information and your help. I had one more question. Let's say I am using nkfs and nqfs as 8^3 grid. And I am using 8 processes.So when I use the tag ephwrite=true and the 8 ephmat files are generated , each containing 64 k points. So does the ephmat1 file contain the first 64 ...
by animeshd
Fri Feb 21, 2025 5:21 pm
Forum: General discussion
Topic: Reading electron-phonon matrix elements file by EPW
Replies: 7
Views: 90686

Re: Reading electron-phonon matrix elements file by EPW

Hi,

Thanks for the information. In EPW5.9, can you tell me which .f90 file has the write_ephmat and read_ephmat subroutines. It does not have the io_eliashberg.f90 file which used to have the ephmat subroutines?

Thanks
Animesh
by animeshd
Thu Feb 20, 2025 6:27 pm
Forum: General discussion
Topic: Reading electron-phonon matrix elements file by EPW
Replies: 7
Views: 90686

Reading electron-phonon matrix elements file by EPW

Hi, I am trying to read the ephmat files generated by EPW in binary format using Python. I was reading the source code write_ephmat routine within the io_eliashberg.f90 file. I am doing for GaN with 1 band and there are 12 phonon modes. The dense k and q grid is 40^3. I am using 4 nodes and 16 cores ...
by animeshd
Wed Sep 04, 2024 3:43 pm
Forum: General discussion
Topic: Electron-Phonon Matrix Elements EPW
Replies: 7
Views: 59277

Re: Electron-Phonon Matrix Elements EPW

Hi,

After using the ephwrite tag in EPW, it generates the ephmat files, egnv and the freq file. It would be great if someone could tell me what is the unit of phonon frequency used in the freq file?
by animeshd
Tue Oct 03, 2023 6:32 pm
Forum: General discussion
Topic: Short-Range Scatteriing Rate EPW
Replies: 0
Views: 62121

Short-Range Scatteriing Rate EPW

Hi, I am trying to calculate the short range scattering rates and thus was trying to calculate the short range matrix elements using EPW. I know EPW can calculate short range scattering rates, but I want to calculate for different electron concentrations and in that case I need to run EPW multiple ...
by animeshd
Mon Sep 25, 2023 7:39 pm
Forum: General discussion
Topic: Electron-Phonon Matrix Elements EPW
Replies: 7
Views: 59277

Re: Electron-Phonon Matrix Elements EPW

Hi,

Thank you for the clarification. But is there a way to change the output format? I will calculate on a coarse grid to check the format of the file and then while using a dense grid, I will use the binary format of the file so that memory is not a problem.

Thanks
Animesh
by animeshd
Thu Sep 21, 2023 4:56 pm
Forum: General discussion
Topic: Electron-Phonon Matrix Elements EPW
Replies: 7
Views: 59277

Electron-Phonon Matrix Elements EPW

Hi, I am trying to calculate the shortrange electron-phonon matrix elements using EPW. Once the run is completed the ephmat files are generated. I understand that the files are in binary format. Is there any way to convert the files into text format so that I can open them to see the contents of the ...