[Wien] Defining vacancy in struct file?

[Stefaan Cottenier]

Just delete the atom you want to replace by a vacancy (and lower MULT or 
NATOM, depending on whether MULT was originally > 1 or not)

Stefaan


>  
> I am new user in wien2k. I need to define vacancy position in my 
> struct file. How can I exchange one of the atoms in my struct file 
> with vacancy position, our how can I define vacancy position in my 
> struct file.
> I have searched in wien mailling list but it not clear for me.
>  
> Any comment will be appreciated.
>  
> Yours,
> Mani
>  
>
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