[CP2K-user] [CP2K:16497] WARNING in qs_scf.F:576 :: SCF run NOT converged

[Moe El]

Hi everyone,
I was wondering if anyone could advise me why I am getting this error 
during a geometry optimization calculation. I am looking to investigate the 
interactions of Manganese - Mn - with a small organic system. The system is 
comprised of 162 atoms and I have attached the required files. Thank you 
for your time and effort.

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