[Wien] .struct file syntax

buero at luitz.at buero at luitz.at
Sat Jun 18 21:54:32 CEST 2005


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

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