abinit / abinit_issues

Bug reports and known issues for Abinit
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FFT mesh error with HF-type (hybrid functional) calculations #3

Open wch3n opened 7 years ago

wch3n commented 7 years ago

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.