[CP2K-user] [CP2K:19740] Charge localized optimization

[jalamar than]

Hi All,

I have a molecule (C5H5N+O-), in benzene ring carbon is substituted with 
Nitrogen and then the Nitrogen is bonded Oxygen atom. Here, Nitrogen should 
have +1 and Oxygen should have -1 charge. Can I optimize the molecule in 
this manner. Kindly help me how to do this kind of charge localized 
optimization.

Thanks a lot.

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