[CP2K-user] [CP2K:21328] KPOINTS+SYMMETRY
Jean-Marie Ducéré
jeanmarieducere at gmail.com
Sun Apr 6 19:10:39 UTC 2025
Hello,
I just installed CP2K 2025.1 and built a 2 atoms bcc cell toy system. I am
puzzled because I obtain the same K-points whether I set FULLGRID and
SYMMETRY on or both of them off: half of the full grid.
Is it because I am doing something wrong (sorry, I do not have currently
access to my CP2K folder but I will post further information if required)
or symmetry beyond time-reversal is not implemented yet?
Thank you in advance for your answer.
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