[CP2K-user] [CP2K:16616] WARNING in qs_scf.F:576 :: SCF run NOT converged

Najmeh Zahabi n.zahabi1995 at gmail.com
Mon Feb 21 03:35:25 UTC 2022

Hi everyone,

I was wondering if anyone could advise me why I am getting this error 
during a geometry optimization calculation. I am using the GAPW method and 
the wb97xd exchange-correlation function. 
Input and output files have been attached.


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