[CP2K-user] [CP2K:18689] SCF run not converged

[Puneet Chandel]

Hello Everyone
 
I have done geometry optimization using the crystal structure of the 
electrolyte, but it does not get converged in any step and shows  "Leaving 
inner SCF loop after reaching  1500 steps". My system contains a total of 
100 atoms. During the GO some bonds between the molecules also break, can 
someone help me with this?

Thanks a lot

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