[Wien] LDA+U

liuzw03 at st.lzu.edu.cn liuzw03 at st.lzu.edu.cn
Sun Oct 9 10:19:19 CEST 2005


Thanks a lot.
Best wishes,

Zaiwen
> 
> You will not see it from the output, as LDA/GGA just do not sufficiently
> localize the electrons... The output will be more delocalized than it
> happens in nature, and only disagreement with experimental results (any
> property, in principle) will tell you something is wrong.
> 
> Stefaan
> 




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