[Wien] problem with supercell

[Stefaan Cottenier]

> I initialized this supercell with vacancy and started SCF.
> I have in this cell with vacancy 8 inequivalent atoms and 4 symmetry
> operation :
> 
(...)
>
> Is it reasonable for a supercell?

Yes. You start from a high symmetry situation, and break that symmetry by 
removing one atom. Much of the original symmetry will get lost, but as you 
touched only one atom, it is reasonable that some symmetry remains (certainly 
at the boundary of the cell). Now you have 8 instead of 15 inequivalent 
positions and 4 instead of 1 symmetry operations, which should speed up your 
calculation a lot.

Stefaan