[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




---------------------------------
Do You Yahoo!?
网恋的诠释：真情还是放纵？
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20030621/1f32c15d/attachment.html