[Wien] Supercell problem of Al2O3

[Michael Fischer]

Hello,

I do not have much experience with hexagonal and rhombohedral cells in 
WIEN2k, but from a general point of view, I can recommend the shareware 
tool Cryscon, available online from www.shapesoftware.com.
This program includes many standard transformation matrices, such as 
those for a transformation between hexagonal and rhombohedral setting.
For Al2O3, the resulting structural parameters in hexagonal setting 
should be something like:
Al (0 0 0.35216)
O (0.30624 0 1/4)
(Data taken from Lewis et al, Acta Cryst A38, p. 733, 1982)
NB: I did not apply the transformation for your data, this is just to 
give you an idea what the results should be approximately.

Greetings
Michael