[CP2K-user] [CP2K:22381] Re: MgCl2 Cell Optimization

[Marcella Iannuzzi]

Have a look at  this conversation:
https://groups.google.com/g/cp2k/c/bF5vahKV7mU/m/Z7J2ZzjXBAAJ

Regards
Marcella

On Friday, August 7, 2026 at 4:34:36 PM UTC+2 yvj... at gmail.com wrote:

> 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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