[CP2K-user] [CP2K:16854] SCF convergence issue in magnetic slab systems

[Yike Ye]

Dear CP2K users,

I'm using cp2k to optimize a Ni(111) slab surface with 12 atoms. The 
calculation can finish after it meets the criteria like MAX_FORCE and 
MAX_DR. But the SCF does not converge at all. Could someone give me some 
suggestions? Here are my input and output file. Thanks a lot!


Best Regards

Yike

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