[CP2K-user] CDFT

Andres Ortega oandr... at gmail.com
Wed Feb 27 10:55:43 UTC 2019

Dear Cp2k group, 

I am intending to run a CDFT calculation to get a charge separation state. 
However, I have a doubt. If my system is close shelled, should I run the 
CDFT using UKS considering I will have an unpaired electron and a hole?

thank you for your help 


Andres Ortega 
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