[Wien] slab problem of Al2O3
swati chaudhury
swati at rcais.res.in
Thu Jan 10 11:22:45 CET 2008
Dear all Wien users,
I have noticed some strange observations with Al2O3 supercell in Wien.
I am little bit confused is there any problems in Wien or the problem is only for this particular rhombohedral system?
For (222) supercell of Al2O3(167 R-3c space group)in w2web,
When slab is given in x-dir,it is added with 'c' value(cell parameter).
But slab is not added when it is putting in y-dir or z-dir.In cell-script,slab-addition is offered only in z-dir.No possibility of addition of slab in either x-dir or y-dir.
The same observations have noticed with (221) and (111) type of Al2O3 supercell.
Please tell me clearly basically what problem is it?
Thanks in advance.
Swati.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20080110/5827179c/attachment.html
More information about the Wien
mailing list