[Wien] LDA+U question

liuzw03 at st.lzu.edu.cn liuzw03 at st.lzu.edu.cn
Fri Sep 9 13:48:00 CEST 2005


Dear wien2k users,
Could someone give a general description of LDA+U? In detail, for which systems
should LDA+U be used?
My interest is electronic structure of one-dimensional magnetic metal chains, and
should I use LDA+U or GGA + (spin orbital coupling)+ (orbital polarization) for my
system?

Thank you in advance.
Your sincerely,




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Zaiwen Liu
Key Labortory for Magnetism and Magnetic Materials of the Ministry of Education
Lanzhou University
Lanzhou, Gansu Province, China
Tel: +86-931-891-2237 
Email: liuzw03 at st.lzu.edu.cn
http://magnetism.lzu.edu.cn
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