GW First Run

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GW First Run

Post by hameed1987 » 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

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Dear All,


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