[Wien] a question about the lattice relaxation and the magneton number

[Xuelian Zhu]

Dear All,

 

I do some calculation about Zn1-xCoxO (x=1/8). I want to ask a question: Because the electronic structure of Co is very different from that of Zn, I should consider the lattice relaxation. How can I deal with it? Another question is how I could get the magneton number. Thank you very much!

 

Best regards,

Zhu Xuelian

 




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