[Wien] warning: !!! Bravais lattice has changed.

[Gavin Abo]

(0.0,0.0,0.226) appears to be in hexagonal coordinates.  Did you enter 
the atomic position in StructGen as rhombohedral 
[http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg05554.html]? 


On 5/29/2014 12:37 AM, sonusharma at iitmandi.ac.in wrote:
> Dear all
>
> In doing the initialization of As element in the trigonal symmetry, space
> group number is 166 with
> a=b= 3.76 and c=10.5480
> alpha and beta = 90 and gamma = 120 (Information from WWW-MINCRYST)
> atomic positions are 0.0   0.0   0.226
>   I am getting warning: !!! Bravais lattice has changed.
> Space group has changed to 12 (C 2/m), while I have used 166 (R-3m) space
> group.
> Why I am getting this error.