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

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Thu May 29 09:54:08 CEST 2014


Hi,

you can find some informations in the answers to this question (at the
very bottom of the page):
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09208.html

On Thu, 29 May 2014, 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.
>
>
>
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