[CP2K:7757] BSSE Calculation while using two copper types

Chris Campbell chris... at gmail.com
Tue May 17 10:21:38 UTC 2016

Thanks as always for the help. The BSSE energy makes alot more sense.

Regarding the electronic configuration of Cu2+ you are right I have been 
having an issue with the triplet state, found some referencing saying the 
energies between singlet and triplet sate is pretty much the same, 
therefore hopefully the geometry but it is something I will have to work on.

Many Thanks,
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