[Pw_forum] About the Ibrav parameter of body centered cubic structure ci16 or I43d structure
Paolo Giannozzi
giannozz at democritos.it
Wed Oct 3 13:53:21 CEST 2012
On Oct 3, 2012, at 11:34 , Wei Zhou wrote:
> now I bulid a structure of body centered cubic structure with space
> group cI16 or I43d, the pritimivite cell has eight atoms and the
> lattice parameters have the following characters
> a =b=c, alpha=beta=gamma,
> so if I use the primitive cell to do calculations, what Ibrave I
> use...............
ibrav is the same index traditionally used to list the Bravais
lattice. Which Bravais
lattice has a=b=c, alpha=beta=gamma(=90)?
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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