[Wien] Question about "rigid-band" model

[Peter Blaha]

Yes I think so.

> Dear Prof. Blaha and WIEN2K users
>   If I want to calculate doped PbTe system such as Pb(1-x)AxTe, "A" is doped element,
> and x is small. My purpose is to compare the fermi energy changing with pressure.
> Can I use the "rigid-band" model, i.e. calculate the scf of pure compound with 
> a certain lattice parameter that determined by a certain pressure, then change NE 
> in case.in2 and run lapw2 ?  
>   Shall I not consider the charge nonequality ?
>    
>  
> Thanks in advance and best wishes
>    
> Joey Davis      
>    
>    
> 
> 		
> ---------------------------------
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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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