[Wien] (no subject)

[Ritabrata Bhowmick]

Thanks Stefaan!
Ritabrata

> 
> >I tried to figure that out. I can see that volume V=2 x (a/2)^3. My 
> >cell is FCC. But why this relation?
> >  
> >
> Your equation is equivalent to V=1/4*a^3. Check any introductory 
course 
> on crystallography and/or condensed matter physics, and you will 
learn 
> that the *primitive* unit cell of a fcc lattice contains just 1 atom 
and 
> has a volume that is one quarter of the conventional unit cell 
(which 
> looks like a cube) that is usually drawn. WIEN2k gives you the 
volume of 
> the primitive unit cell, which is what matters.
> 
> Stefaan
> 
> 
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