EPW Forum

Hi,

Can you provide a link from where I can download the pseudopotential you are using?

Best,
Roxana

Dear Gautam, Can you please clarify the following two points? 1) Does the wannierization procedure works fine using wannier90 and pw2wannier90 outside EPW? You mentioned getting unphysical wannier functions and it is not clear if this happens with the EPW code or the Wannier90 code as well. 2) What ...

Hi,

It appears that you are using an older version of EPW. Can you please download the latest version from GitLab and see if the issue persists.

Best,
Roxana

Hi,

Yes, SOC should be supported by USPP with the develop version of QE/EPW that you can download from GitLab.

Best,
Roxana

Hi,

Can you try first to get the wannierization using the Wannier90 code in order to single out the problem?

Best,
Roxana

Hi,

You need to upload the developer version from Gitlab.

git clone https://gitlab.com/QEF/q-e.git

Best,
Roxana

Hi Fabio, I think you made a mistake in your estimate. This is the formula for Tc implemented in the a2f.f90 file. tc = logavg / 1.2d0 * exp( - 1.04d0 * ( 1.d0 + l_a2F ) / ( l_a2F - mu * ( 1.d0 + 0.62d0 * l_a2F ) )) ! tc in K ! tc = tc * ryd2ev / kelvin2eV If I take the values logavg = 0.0069899 l_a...

EPW doesn't have a special treatment for 2D materials and the behavior of the e-ph coupling may be problematic. Please search the forum for the discussions regarding issues in 2D systems.

Roxana

Hi Jae-Mo,

Thanks for reporting this minor bug.

Best,
Roxana

The flag eps_acustic sets the lower boundary for the phonon frequency in el-ph and a2f calculations. The default is 5 cm-1