[Wien] Problems !

[Stefaan Cottenier]

> I am utilizing wien2k in my calcilation, and I just
> want to ask you how forced to use a multiple cell (
> not an elementary cell ).
> Every I want to calculate, Wien changes my symmetry ot
> obtain an elementry cell and I want to avoid this
> operation.

Break the symmetry: slightly change a lattice constant, or slightly display an 
atom, or change the Z-value of one of the atom,... Once initialization is 
complete, change the symmetry-breaking feature back to normal (if you really 
want to use a larger-than-necessary cell).

Stefaan