[CP2K-user] [CP2K:21113] Need help, issue with Ice Slab Simulation (NVT Equilibration)

[ozasvita]

I am trying to simulate an ice slab. I performed *NPT equilibration*, and 
the system appears to be well-equilibrated. However, when I switch to *NVT 
equilibration*, I observe unusual behavior—either the water molecules get 
squeezed, or the atoms in the *XY and YZ planes* become distorted.

I am using *PBC (periodic boundary conditions) in the XYZ directions*.

I am attaching my input file along with the coordinates of the last frame. 
I would appreciate it if anyone could help me figure out what might be 
causing this issue

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