EPW Forum

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 ...

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Hello Yujia,

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

Best,
Sabya.

Hi,

Please use V6.0 of EPW (with QE 7.5). This new version outputs the real, imaginary, and the absolute el-ph matrix elements.

Best,
Sabya.

Hello Yujia,

Did you run everything including phonon calculations using QE7.5 or you reused the output from QE7.3? I did not see a phonon calculation in your v6.0 folder.

Best regards,
Sabya.