MULTIPLICITY PROBLEM WITH POLYMETALLIC COMPLEXES

[Rizwan Nabi]

Hi Dear cp2k users

I am trying to find out the single point energy of a poly-nuclear complex 
(complex with many same or different metal ions) in which my complex is 
having only one kind of metal ions but with different oxidation states. Now 
I am confused as to how to define different spins and multiplicities of 
various metal ions individually in the input structure. Moreover I tried BS 
subsection in FORCE_EVAL but still it is not clear as to how to define +2, 
+3,,,,, oxidation state of a certain metal. Could anyone please help me out 
to fix this issue.

Looking forward for your kind response. 



regards! 
Rizwan
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