EPW Forum

Hello everyone, we are currently calculating the EPC of a nonpolar structure and are wondering if our coarse phonon mesh is sufficiently converged. Below you can see the decay.epmatp for a coarse 4x4x4 q-mesh, which decays quite nicely by almost three orders of magnitude. Checking convergence with a ...

Has really no one experienced this error before or knows where to look further to solve this issue?

Dear jyxi,

I had the same problem, please look here: http://epwforum.uk/viewtopic.php?f=6&t=447

As far as I know, EPW still only supports norm-conserving pseudo potentials.

Best, Tobias

Dear EPW creators and users, I want to calculate the spectral function a2F with EPW and have a working setup for calculations without spin-orbit coupling (SOC). Sadly EPW crashes every time I try to include SOC with the following error message: ... Using random q-mesh: 50000 Size of q point mesh for ...

Hi all, I have some trouble with EPW in combination with the phonon calculation. In the attached image, you can see the phonon dispersion as calculated by ph.x (4 4 4 grid) in yellow and the EPW interpolation in red. Most of the dispersion is fine, but around Gamma, some weird things happen, which ...

Dear Samuel and Vahid, thank you very much for your inputs! To answer your questions, the wfc files from nscf are around 4 MB and the dvscf from ph around 100 MB each. As I tried with 96 GB RAM on 12 cores and 30 GB RAM on one core, I think that was not the problem. In the beginning I also first did ...

Dear Samuel,

thank you very much for your fast reply! I was not aware of that and now changed to norm conserving pseudo potentials, but sadly the above mentioned error persists. Do you have any idea why this could occur?

Best,
Tobias

Hi, I am trying now for several days to get epw up and running. The bulk fcc PB example did work properly, so epw should be working. I then adjusted the input files accordingly to suit my needs. Sadly, epw now gets stuck after the line "G-vector sticks info" and does nothing anymore, not even output ...