[Wien] another space group question : hexagonal to orthorhombic

[Stefaan Cottenier]

> I would appreciate if anyone has suggestions on which point to 
> further check. 
 
Maybe change the volume in both structures in an identical way, and 
look at the energy *difference* between both volumes. Even if the 
absolute value of the energy might be different (different numerics in 
both types of structures?), energy differences can be all right (and 
that is what matters). 
 
Stefaan