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[xhongjun <xhongjun@mail.ustc.edu.cn>]

Dear Masayoshi:
  The system I studied is Si(111)sqrt(3)*sqrt(3)
Ag surface(IET structure).From the ref PHYSICAL REVIEW B 68, 
085407(2003)(see also H. Aizawa, M. Tsukada,
N. Sato, and S. Hasegawa, Surf. Sci. 429, L509(1999)).
I know that this system should belong to P3 space group.
Your geometry is not that I want to study.
The system I study is given in BIOSYM car format,which
should be recognized by Cerius2 or molden.
cat 1.car
!BIOSYM archive 3
PBC=ON

!DATE     Jul 28 21:16:26 2002
PBC 6.5983 6.5983 18.6628 90.0000 90.0000 60.0000
Si1      1.444700630    0.000000000   18.525975439 dmol 1      ??? 
Si  0.000
Si2      2.576807571    4.463161634   18.525975439 dmol 1      ??? 
Si  0.000
Si3      4.423584577    3.766738953    2.929217601 dmol 1      ??? 
Si  0.000
Si4      1.124428749    1.947567723    2.929217601 dmol 1      ??? 
Si  0.000
Si5      3.299154297    1.904768892    6.054643318 dmol 1      ??? 
Si  0.000
Si6      0.000000000    0.000000000    5.942941912 dmol 1      ??? 
Si  0.000
Si7      2.120235914    0.000000000    2.135072859 dmol 1      ??? 
Si  0.000
Si8      2.239035832    3.878123821    2.135072859 dmol 1      ??? 
Si  0.000
Si9      4.416151782    3.779613639    5.261878545 dmol 1      ??? 
Si  0.000
Si10     1.116995676    1.934693263    5.261878637 dmol 1      ??? 
Si  0.000
Si11     5.875961290    1.251145041   18.525975439 dmol 1      ??? 
Si  0.000
Si12     4.349456165    0.000000000    2.929217601 dmol 1      ??? 
Si  0.000
Si13     6.598315193    3.809537784    6.054643318 dmol 1      ??? 
Si  0.000
Si14     5.538191146    1.836182854    2.135072859 dmol 1      ??? 
Si  0.000
Si15     4.364322164    0.000000000    5.261878637 dmol 1      ??? 
Si  0.000
H16      3.299154297    1.904768892    7.559933772 dmol 1      ???     H 
  0.000
H17      0.000000000    0.000000000    7.450562210 dmol 1      ???     H 
  0.000
H18      6.598315193    3.809537784    7.559933772 dmol 1      ???     H 
  0.000
Ag19    -2.821729923   -0.296574638   17.794652191 dmol 1      ??? 
Ag  0.000
Ag20     1.154023028    2.591975794   17.794652191 dmol 1      ??? 
Ag  0.000
Ag21     1.667704606   -2.295402477   17.794652145 dmol 1      ??? 
Ag  0.000
end
end
-------------------------------------
Are there any errors in my input file?
Regards
xianghjun

>mmikami@rc.m-kagaku.co.jp wrote:
> Hello Xianghjun,
>
> Are you confident with your geometry ?
> Which kind of symmetry are you expecting ??
> (You might know the answer. If so, why not give us the information ?)
> I tried your input file from the original e-mail :
> http://www.abinit.org/wws/arc/forum/2003-09/msg00003.html
> Then I look into your geometry ... seems the slab model ??
> (I also tried to find the geometry with Cerius2, then I did not find
>  any high symmetries, but just "P1", even with the tolerance
>  deviation of 0.50 angstrom. So the same answer ...)
> Could you please check your structure carefully again ?
>
> Regards,
> Masayoshi
>
> P.S. The attachment is the picture file of your model... (temp.gif)
> Does this have any high symmetries ?