[Wien] The position of O

[Steven Homolya]

On Thu, 30 Oct 2003 12:57 pm, panzhijun2002 at sjtu.edu.cn wrote:
> Hi,all users of WIEN2K:
>    Please tell me why the position of O in the structure of TiO2 is (0.3
> ,0.3, 0).Thank you very much.

Because that's where it's supposed to go. (Note that TiO2 occurs in more than 
one form.)

-- 
Steven Homolya
School of Physics and Materials Engineering
Monash University VIC 3800
Australia
Tel: INT +61 3 9905 3694
Fax: INT +61 3 9905 3637