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FFT mesh error with HF-type (hybrid functional) calculations #3

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wch3n opened this issue Nov 19, 2016 · 0 comments

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wch3n commented Nov 19, 2016 •

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When performing HF or hybrid-functional calculations with the GW subroutines on certain systems, one could encounter the error, e.g.,

--- !BUG
src_file: sphereboundary.F90
src_line: 249
mpi_rank: 0
message: |
iloop,igb,mgb= 2 85 84
about to overwrite gbound.

The calculation will halt when such an error arises.

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