High K-Mesh wannierization: Not enough bvectors found
Posted: Tue Jun 11, 2024 2:39 am
Hello,
I am trying to run a Wannierization calculation on a 32x32x1 K-point mesh. However, I get an error in the epw.out file that says the following:
I see in some W90 forums that the error could be occurring due to the high mesh where the nearest neighbor shells are too close and are near-degenerate. I have tried to fix this my altering the kmesh_tol, but the error just jumps between too many neighbors or too few neighbors. I can't seem to find another solution that works.
Any help or insight would be greatly appreciated. I have also attached 2D.win, epw1.in, and epw1.out. Other files can be provided if needed.
Thank you!
I am trying to run a Wannierization calculation on a 32x32x1 K-point mesh. However, I get an error in the epw.out file that says the following:
Code: Select all
kmesh_get_bvector: Not enough bvectors found
Error: examine the output/error file for details
Any help or insight would be greatly appreciated. I have also attached 2D.win, epw1.in, and epw1.out. Other files can be provided if needed.
Thank you!