[CP2K-user] geometry optimization completed

[Tahere Kheshti]

Hello everyone
I am attaching the input and output files. As you see none of the criteria
for optimized geometry has been reached. Do I need to increase the number
of optimization steps? how many is enough? (my structure has 114 atoms)
Are the number of inner and outer SCF steps appropriate?

Can you please tell me your suggestions?
Thanks
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