[Wien] Can Wien2k use with virtual crystal or pseudo atom?

[Stefaan Cottenier]

>Sigh, I want to have Hf(1-x)Ti(x) using VCA, but it seems to be
>unpractical...
>
>  
>
Indeed... if you would have needed Hf-Ta or Ti-V it could have worked, 
but not with two so different atoms.

Alternative: make a (series of) supercell(s), simulate some discrete 
values of x with real Hf and real Ti (no VCA), and hopefully you see 
consistent trends that allow for conclusions.

Stefaan


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