[Wien] What is the matter in the step of x sgroup?

[Torsten Andersen]

Dear Mr. Pan,

It should be taken literally.

You can only have one atom on each position. Remove atom 6 or put it 
somewhere else.

Best regards,
Torsten.

panzhijun2002 wrote:
> Hi,users of wien2k:
>    When I perform the initialization for La0.4FeCo3Sb12,the first step is ok.Unfortunately,the initializaton did not pass the step of x sgroup. The error information is as follows:
> 
>    Error: duplicated atoms found! Atoms #2 and #6 coincide.
>    Error: duplicated atoms found! Atoms #2 and #6 coincide.
>    diff: La0.4FeCo3Sb12.outputsgroup: No such file or directory
>    diff: La0.4FeCo3Sb12.outputsgroup1: No such file or directory
>    Error: duplicated atoms found! Atoms #2 and #6 coincide.
>    0.000u 0.001s 0:00.00 0.0%	   0+0k 0+0io 125pf+0w
> 
> What is the matter and how to solve it? Thank you in advance.
> 
>                                                             Yours sincerely:
>                                                                   Pan Zhijun
>  
> 

-- 
Dr. Torsten Andersen                     TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University, and
Condensed Matter Theory Group, Department of Physics, Uppsala University
Web: http://www.fysik4.fysik.uu.se/         http://www.physik.uni-kl.de/