[Wien] how to determine hund's rule coupling

ding dingmingcui at qq.com
Tue Apr 22 10:55:37 CEST 2014


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
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