[CP2K-user] molecule

[FGamez]

Dear Community.
I have been running BOMD of several isolated charged molecular complexes 
for some years without problems.
Recently, for some complexes, I obverved the complexes exploded. 
Enclosed find the input and xyz of an example. 
Do you have any suggestion of the reason behind this behaviour?
I assume it is not the structure, since we have been able to run without 
problems with BLYP. The problem come out when we move to B3LYP. It seems to 
be a problem on the OT section, where we see strong oscilations. We tried 
to change the options without success. 
Some help?
Kind regards
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