EPW Forum

Hello, There is an ongoing effort to make EPW work with DFT+U/DFPT+U. Hopefully, in EPW v6.0 (to be released next year summer) we will have DFT+U/DFPT+U. Although in the current version of EPW one cannot add the effect of U to phonons and electron-phonon matrix elements, correction to electronic ...

EPW version 5.9 has been released. You can read more regarding the release on the EPW website: https://docs.epw-code.org/doc/Releases.html. The EPW v.5.9 has a known issue regarding compilation when downloaded with QE v.7.4 Release. We reccommend downloading EPW v5.9 from the EPW website which has ...

Hi Donglin, There are multiple codes which can produce the uniform grid in the full Brillouin zone. The easiest method is to use the perl code below (Part of Wannier90 distribution kmesh.pl). To run the code below and generate a 6 6 6 k-grid -> perl kmesh.pl 6 6 6 Best regards, Sabya [#!/usr/bin ...

Hi,

Can you try increasing the fine-grid (nkf and nqf)? If that does not work can you attach your input and output files?

Best regards,
Sabya.

Hi Jianguo,

I think the problem comes from the fsthick. Increase the fsthick size or use etf_mem=0 in your epw input file. If that does not help, please check the q-point path that it does not have any discontinuity.

Best regards,
Sabya.

Hi,

Yes, the PAO is not yet implemented inside the external Wannier library in QE. Hence, the PAO at the moment cannot be used with EPW (as of EPW 5.9). Hopefully, it will become part of the QE soon.

Best regards,
Sabya.

Hi

EPW is not tested for such large system sizes.
For QE related questions please use QE users forum (https://www.quantum-espresso.org/users-forum/).

Best regards,
Sabya.

Hi Ilias,

Do you have the flkf and filqf file (both use the same file "GMKG.txt") in the same folder where you are running the tutorial? Attach your input if the problem is not solved.

Best regards,
Sabya.

Hi Fale, I see that your coarse k,q-grids are a bit too coarse. Are you sure the Wannier interpolation is good? Also, have you checked your phonon dispersion obtained from EPW and direct PH calculation (using matdyn)? Try increasing the coarse grid quantities to see if you see a change in the lambda ...

Hi Bhawna,

One more point, you need to provide the entire k-path and not just the high-symmetry points. With that 'prt' should work.

Best,
Sabya.