EPW Forum

Hi,

try changing the etf_mem from 1 to 0 and request more memory from your computational node.

Best,
Andrei

Hi! I would say that, although the spreads are low, you wannierization didn't went well. 300 for num_iter and dis_num_iter seem too smal to me. Besides the gap at Dirac point there are number of strange looking regions on band structure, which would be seen if you compare your W90 band structure wit...

Hi! As far as I know, assume_isolated='2D' is unusable with EPW right now. It, most probably, breaks at the point where the potential change with phonon perturbation is written in QE ph.x calculation. The resulting electron phonon coupling elements are enormous in EPW: factor ~100 (or higher) from e...

Dear Samuel,

Yes, it does work, thank you!

Best wishes,
Andrei

Hi! I have a problem making the latest development version of EPW from both m and m the problem for both version appears on make epw step: make[2]: *** No rule to make target 'superconductivity.o', needed by 'libepw.a'. Stop. make[2]: Leaving directory '/vol/tcm36/andreil/codes/QE_dev/epw_rep/q-e/EP...

Dear Andrei, The calculation of the epmatwp can indeed be a bottleneck. Possible solution to speed things up: - use etf_mem = 0: This should speed things up a little bit but is usually very memory demanding. In most cases you will not have enough memory on your nodes. - use more nodes: Use the maxi...

Hi! Can I know what are the 11 columns in a2F and a2F_tr output files please ? I believe they contain the following data: 1 column: phonon frequency 2 - 11 columns: a2F(omega) at differing phonon smearing values, smearing values can be found in the bottom of the file (search for "Phonon smearin...

Dear EPW developers and users, I have a question regarding the speed of epwwrite step of EPW. My workflow, starting from the point, where wannierisation is finished is the following: -calculate kmaps separately -calculate epmatw* files -reuse epmatw* files for all futher (selfens, nesting function.....

TL;DR: To obtain adequate |g_ijnu| distribution for the whole BZ, fsthick must include not only all the E( k ), but also E( k+q ) of bands you want to build distribution for. In my case fsthick of 3eV was not enough. Degenerate states need special treatment, since non diagonal electron-phonon matrix...

Thank you for the link.

sponce wrote:Another idea from Carla: you could try the silicon case (should be very cheap). Try to do the same plot as for your graphene. This should work and not give stripes.

Do you mean the bulk silicon or silicene?

Best,
Andrey