[CP2K-user] QM/MM Cons. Qty

[Mador Samuel]

Dear All, 
I am new to cp2k and am running a QM/MM dynamics of a system of LiCl dimer 
in THF. But when I checked the results of my Energy, I noticed a huge drift 
in the cons. Qty. and to an extent on the PE while the KE seem Ok.  
What seems to be the problem? Does this mean my system is not converged (or 
out of equilibrium)? Or did I miss sometime in my input? I appreciate any 
suggestion.
Attached is my input and the plots. 
PS: Am using the CSVR thermostat. Similar problem was encountered when I 
used NOSE HOOVER.
Thank you.

Best,
Samuel  
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