EPW Forum

BTW I am using the latest version of QE and EPW.

Nandan.

Hi, I am trying to evaluate electron and hole mobility separately keeping int_mob = .false. Hole mobility is evaluated without error whereas the electron mobility job crashes with a segmentation fault. If the option int_mob=.true. then the job completes without error. Basic checks for interpolation ...

Hi Vahid, I would try a lower k-grid and denser q-grid instead. If you look at the Fig 5. of Comm. Phys. Comm. Volume 209, December 2016, Pages 116-133 (the EPW paper), as the q-grid becomes denser the scatter reduces. Thanks for the clue about the compilation issue. I have installed QE-6.2.1 this w...

Vahid, Thanks for the reply. You are right that I have used only a few points (~500) along the LGX high symmetry path to observe the Im(Sigma). I am first trying to optimize the integration variable defined by the q-grid, and so I am varying that from 50x50x50 to just under 100x100x100. As long as t...

Hi Samuel, I have done the calculation again from scratch and now the decay files are plotted with log scale. They seem well converged. The electronic self-energy seems well converged up to a fine grid of 80x80x80 q-points. I think the Wannier functions are pretty good and convergences in the Wannie...

Hi Samuel, I finally finished some more tests but my results are still not as expected. I tested two cases with different number of Wannier functions: m The decay of H and dynmat in both cases is almost identical. The decay of the electronic part is very different but better for the basis of 8 Wanni...

This problem seems to continue for me. I updated the input so that it looks as follows. On a separte note, I ran all the Examples in the EPW directory and they completed without error. I could use help with figuring out this issue. -- &inputepw prefix = 'gaas' amass(1) = 69.72300 amass(2) = 74.9...

I am wondering if this could be compiler related issue?
Or do the negative phonon frequencies near Gamma cause this behavior in Im(sigma)?

Thanks and regards,

Nandan.

Carla,

Sorry for spelling your name wrong earlier.

nandan.

Hi Cara,

The interpolated electrons and phonons look fine. There is a small negative frequency near Gamma,
but overall it looks alright.
phonons: http://www.mediafire.com/file/hxye197xq ... phonon.eps
electrons: http://www.mediafire.com/file/9rihxg4mw ... ctrons.eps

Nandan.