GW First Run
Posted: Sun Mar 22, 2020 3:01 pm
Dear All,
in the first run of GW Calculation for a ternary perovskite solar cells (General example of an almost converged GW calculation), I have belo error and my input file is attached
--- !ERROR
src_file: kgindex.F90
src_line: 110
mpi_rank: 2
message: |
The G-vector with ig: 4436 falls outside the FFT box.
Any help is highly appreciated
Hameed
...
in the first run of GW Calculation for a ternary perovskite solar cells (General example of an almost converged GW calculation), I have belo error and my input file is attached
--- !ERROR
src_file: kgindex.F90
src_line: 110
mpi_rank: 2
message: |
The G-vector with ig: 4436 falls outside the FFT box.
Any help is highly appreciated
Hameed
...