[Wien] Mg-inst-file

[Peter Blaha]

What a nonsense!

You probably want to dope with Mn, not Mg

Mg will never be magnetic.

zhchwsd schrieb:
> Dear,
>    I want to calculate antiferromagnetic coupling in two Mg-doped GaN. I 
> don't know how to design the inst-file of Mg, since Mg has two 3s 
> electrons. 
>   I'll appreciated for receiving this answer!
>  
>   Best regards,
>   c w zhang
> 
>  
> 
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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