[CP2K-user] [CP2K:19210] Total force calculated by cp2k is not zero

Junbo Lu lujunbo15 at gmail.com
Sun Aug 27 15:28:33 UTC 2023

Dear all cp2k experts,
  I performed DFT calculations for a lot of systems using CP2K. I found 
that the forces on each atom always do not sum up to zero. In principle, 
the total force should be zero because of translational symmetry of the 
system. This fact can be reproduced by VASP.
  With my best regards,

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