[Wien] Partial ordering in UZr2

[Stefaan Cottenier]

> However, for calling the supercell program, a valid struct file has to 
> be present.

This struct file is the one for the completely ordered UZr2 structure -- 
hence you do have this file. The rest will be clear from the 
self-explanatory questions which the supercell program will ask you 
(have a look at www.wien2k.at as well, for Peter Blaha's introductory 
slides used at wien2k workshops -- this discusses the creation of 
supercells). Substitution of Zr-positions by U needs to be done only 
*after* the supercell has been created.

Stefaan