[CP2K-user] [CP2K:22379] MgCl2 Cell Optimization

[Yogesh J]

I am new to cp2k and planning to use it due to its speed. I am trying to
optimize MgCl2 bulk structure. For some reason, Mg assumes planner
coordination upon optimization. I have played with different basis sets,
potentials, symmetry .. but nothing it helping. Please find the inputs and
optimized structure here.

Thanks for your help,
Yogesh

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