EPW Forum

Hi Hari,
I checked the save file carefully and there is no problem. And I recalculated the phon and used pp.py to generate the save file, but the problem was not solved. Do you have any suggestions？
best
dsc

Dear experts, I encountered an error in calculating the superconductivity of a bulk phase material in EPW 5.4 . I found a suggestion to remove "nosym= true" in nscf.in, （See " https://forum.epw-code.org/viewtopic.php?t=1597 "）I didn't set this because it was removed in EPW 5.3. Some input files are p ...

Dear EPW experts, This is my calculation of lambda_1.cube, how to change the parameters to make it look normal? And how do I get the second diagram? Conversion from the first Brillouin zone to the original Brillouin zone. The k, q grid as follows: nk1 = 12 nk2 = 12 nk3 = 1 nq1 = 12 nq2 = 12 nq3 = 1 ...

Thank you for your response. This is a very effective solution，it worked well. I know etf_mem = 0 is stored into memory, I checked the memory usage during the calculation, which has a lot of unused memory, so I assume that memory is not the bottleneck for errors and did not use etf_mem = 1. Bests, ...

Why does EPW stop the task after calculating the irreducible q point, it should carry out Bloch2wane, without any error reported? before interruption as follows: Writing epmatq on .epb files The .epb files have been correctly written Band disentanglement is used: nbndsub = 30 Construct the Wigner ...

Hi Hari,
This information is very useful, thanks!

Sincerely,
DSC

Hi zhongcy,
In my calculation, python fermi_surf.py --fs -y nscf.out shows "Missing key" how to solve? The nscf.in is the file in the example.

I am looking forward to your reply.

Sincerely,
DSC