[Wien] sgroup problem

[Bing Zhou]

Dear Victor:

Thanks! I will try it again.

Best wishes!



On Sun, 9 Nov 2003, Victor Shaposhnikov wrote:

> > What is the possible reason? could you please take a look of the attached
> > case.strut file and let me know how to fix it?
> if you run sgroup from command line, you can see the error message. In
> you case:
> Error: duplicated atoms found! Atoms #1 and #6 coincide.
>
> You  should  check  the  coordinates  of  Al  atoms, perhaps, they are
> entered twice, or you didn't change z component.
>
> --
> Best regards,
> Victor Shaposhnikov
>
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Bing Zhou
Dept. of Geol. Sc.
The Univ. of Manitoba
Canada R3T 2N2
Tel: (204)474-8395