Dear all, 
I want to calculate the effective hund's rule coupling of atom, is there a 
method to the effective hund's rule coupling by wien2k? I know one can use 
constraint LDA to calculate the effective U. 
Thanks
Mingcui Ding
Tongji University
China
_______________________________________________
Wien mailing list
Wien@zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html

Reply via email to