[CP2K-user] [CP2K:22090] k-point symmetry/reduction
Léon Luntadila Lufungula
Leon.luntadilalufungula at uantwerpen.be
Fri Feb 6 12:48:52 UTC 2026
Dear all,
I have been testing some settings in my CP2K input file regarding symmetry.
I got most of them working but I am getting a CPASSERT error when trying to
use the SYMMETRY keyword for the k-points. I just stumbled upon the FAQ
reqarding k-points and it states that "Only FULL_GRIDs of k-points may be
used, no reduction due to symmetry is supported.". So I'm wondering why
FULL_GRID and SYMMETRY are even an option if we can't use them? Also, will
these be implemented at some point or is this not on the priorities list?
Kind regards,
Léon
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