[Wien] .struct file syntax

[buero at luitz.at]

On Sat, 18 Jun 2005, Travis Sefzik wrote:

>
> R   LATTICE,NONEQUIV.ATOMS:   2167_R-3c
>
> What I am interested in is what the "2" that proceeds my space group number 
> means.

You have 2 inequivalent atoms in your structure ,-) The struct file is a 
formated file to fortran, which means that the position of the numers 
matter. Ugly, but that's fortran.


Best
   Joachim

--
luitz.at | interfacing art, science and technology

Dipl.-Ing. Joachim Luitz KEG 
Wohlmuthgasse 18 . A-3003 Gablitz . T +43 2231 61254 . Fax +43 2231 612544
buero at luitz.at . http://www.luitz.at . skype://jluitz