[Wien] Spacegroup issue

[Michael Frotscher]

-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

Dear Kevin,

> In WIEN, a rhombohedral system (ie one with a R space group) is specified
> with 'R' lattice, hexagonal lattice constants, and rhombohedral atom
> coordinates.  This is very stupid, but that's the way it is. 

Thanks, I guess I have to live with it. Do you (or Peter) know how the cell is 
defined then? If I use the lattice parameters for the hexagonal cell and the 
atom positions for the rhombohedral setup, I have the large unit cell (3 
times larger than the rhombohedral one) but with too few atoms in it. Or is 
that to be neglected because WIEN fixes this internally?

Sincerely,
- -- 
Michael Frotscher
Institute of Inorganic and Applied Chemistry
University of Hamburg, Germany 
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.2.2-rc1-SuSE (GNU/Linux)

iD8DBQE/tM3O/f+kgY+d9bQRAg22AJ9mXfgJpKuU5u4ko0/H3rHKSosOogCfVLJi
lRKC1Mk0yO4abtcjIFlJSLY=
=SDOb
-----END PGP SIGNATURE-----