Sirs
in (Computing the momentum matrix elements) of optical properties I have below error and the input file is attached with this post
--- !BUG
src_file: sphereboundary.F90
src_line: 252
mpi_rank: 28
message: |
About to overwrite gbound array (FFT mesh too small)
iloop, igb, mgb = 2 155 154
istwfk, mgfft, npw = 1 75 26517
minval(kg_k) = -18 -18 -18
maxval(kg_k) = 18 64 18
...
Please help me to overcome the error
Regards
Hameed
optical properties
Moderator: bguster
-
hameed1987
- Posts: 41
- Joined: Sat Jun 22, 2019 12:45 pm
- Location: The UK
