[CP2K-user] [CP2K:19762] Ru slab optimization

[Lakshmi Anil]

Dear all,
I was trying to do geometry optimization of the 4x4 slab model of Ru(0001). 
The job was completed within 3 hours. Unfortunately, the slab structure 
distorts. One row of atoms from the top and bottom layers is moved to the 
middle layers. I also tried to do optimization by increasing the vacuum but 
the result was in the same way. Could anyone please help me how to resolve 
this problem? I am also attaching the input and output files of the 
optimization. 

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