[CP2K-user] [CP2K:16462] Energy Fluctuations Without Convergence

[timw...@hotmail.com]

Dear CP2K Users,

I'm running a geometry optimization for Ni(111) containing 288 atoms. 
However, the energy seems to fluctuate a lot, and the system does not tend 
to converge. Could someone give me some advice on what I can do in this 
case? My input and output files are attached below. Thanks!

Best regards,
Tim

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