RKS calculation with Doublet Multiplicity, strange?

Natalie Austin natalie... at gmail.com
Wed Oct 19 14:46:41 UTC 2016

Ok, that makes sense. No, I wasn't expecting any spin polarization. The RKS 
and UKS formalism gave the same results. So this means it doesn't matter if 
you use RKS or UKS when you have smearing on if the system is essentially 

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