EPW Forum

Hi Snake, If you face memory problem again, please use the latest develop version of EPW from here: https://gitlab.com/epw/q-e.git, This version of EPW will be released soon as EPW v6.1 alongside QE v7.6, and can be image parallelized even for the coarse grid calculations. To use image ...

Hi,

Can you explain a bit more regarding the calculation? How many cores you were using etc.?
Also, will be helpful if you can attach the traceback.

Best regards,
Sabya.

Hi, It is possible to calculate exciton-phonon coupling using EPW in combination with BerkeleyGW. See the lecture by Dr. Dai here https://drive.google.com/file/d/1mXatJhFLgKZEUSGKhX0TGDU4N5JZveCC/view . Within the EPW repo you can find an example for calculating exciton-phonon coupling and exciton ...

Hi,

It is not yet available. Most likely, it will be available in the next (6.1) or next to next version (6.2) of EPW.
Currently, there are no official versions.

Best regards,
Sabya.

Hi,

Can you please share the Wannier90 input file you used? So that we can compare the discrepancy. Most likely cause for the deviation are small differences in the hyper-parameters (dis_win etc.) between W90 and EPW.

Best regards,
Sabya.

Hi, In the first case you include a tag "fsthick = 0.4" Which results in the inclusion of only those "k" points (and corresponding k+q points) which fall inside the energy window [Ef-fsthick, Ef+fsthick]. Therefore, some |g| are 0. In the next case you do not include it and the code defaults to ...

Hi Yujia, Yes, I have taken a look and there is an issue in EPW v6.0 regarding PAW pseudos. If EPW 5.8.1 works fine, you can perform step 1 with EPW v5.8.1 and generate the epmatwp files (electron-phonon matrix in Wannier representation). You then use the EPW v6.0 for the fine-grid calculations ...

It is our pleasure to announce the " 2026 School on Electron-Phonon Physics and Many-body Perturbation Theory " which will be held from June 15 to 21 at ICTP in Trieste, Italy. This is an advanced school on first-principles methods for electron-phonon physics and excited-state phenomena, featuring ...

We are pleased to announce that on Sunday, March 15, 2026 we will hold a one-day short course on Electron-phonon physics from first principles: Theory and computational tools under the auspices of the Division of Computational Physics (DCOMP) at 2026 APS Global Physics Summit . To register , please ...

Hello Yujia,

I see, you are using PAW pseudopotential; Can you use ONCV/NC pseudopotential instead of PAW?

Best,
Sabya.