Dear all,
I just want to report a problems I found running hybrid calculations (pbe0,
hse, but also gaupbe).
In practice if you run using KPOINTS{gamma} pw crashes with this error:
Error in routine electrons (1):
dexx is negative! Check that exxdiv_treatment is appropriate for the
system
However, running at gamma point without approximation KPOINT(automatic) 1 1 1 0
0 0 everything goes smoothly and pw got slowly to convergence.
Considering the speed-up one can get using the gamma approximation I was
wondering if it can this be fixed or if somehow this is normal and simply
hybrid functional cannot be run using gamma approx
Cheers
Davide
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