GW First Run

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hameed1987
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Joined: Sat Jun 22, 2019 12:45 pm
Location: The UK

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

Hameed
...
Attachments
tgw1_1.in
(4.39 KiB) Downloaded 51 times
Dear All,


WR
Hameed

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