[Wien] How to choose the substitution site when performing the calculation of doping?

[Jian Zhu]

Well-beloved Stefaan Cottenier,
   Thank you for your time.
   Best regards.
                                                          Sincerely yours,
                                                          Fei Tun


2006/9/26, Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.be>:
>
>
> > Are there general rules on the substitution of original atoms
> > of supercell?
>
> I cannot guess what you are searching for. I can only repeat: "It all
> depends on the physics of your problem."
>
> Stefaan
>
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>
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-- 
Scoool of Materials Science and Engineering
Central South University
Jian Zhu
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