Electron-Phonon Matrix Elements EPW

[animeshd]

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 file?

It would be great if someone could provide some information on this.

Thanks

[stiwari]

Hi,

The ephmat file is written in binary because if it is written as a text file then it's size will be quite large.
A good idea would be to read the ephmat files directly as binary instead of trying to convert it into a text file.

You can use subroutine "read_ephmat()" in EPW/src/io_eliashberg.f90 for inspiration on reading the binary file.

Best,
Sabya.

[animeshd]

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

[hmori]

Hi Animesh,

We do not provide an option to change the file format, so you have to modify "write_ephmat()" in EPW/src/io_eliashberg.f90 to change the format yourself.

Best,
Hitoshi

[johnnywow]

Hi,

Should I change the "FORM = 'unformatted'" to "FORM = 'formatted'" in OPEN()?
I notice that there are !OPEN(FORM = 'formatted') before or after the OPEN(FORM = 'unformatted').
Since I have no experience in Fortran, Could you give me some advices?

Best,
John

[hmori]

Hi John,

Yes, you can change the format to human-readable one by changing "FORM = 'unformatted'" to "FORM = 'formatted'".
Note that the file size may become larger than that of the binary format.

Best,
Hitoshi