Does anyone can provide me a software to calculate bonds and angles in
crystal structure (input: space group , atomic positions and unit cell
parameter).
Thanks.
Laurent CHAPON
LPMC, UMR 5617 CNRS, CC003
Université Montpellier II
5, place E. Bataillon
34095 Montpellier Cedex
FRANCE
Mail to :
Distances and angles in crystal structures are calculated using the DisAgl
program unit of the GSAS package.
Allen C. Larson
"[EMAIL PROTECTED]" wrote:
>
> Does anyone can provide me a software to calculate bonds and angles in
> crystal structure (input: space group , atomic positions and unit
Most Rietveld software has inbuilt Bond-length/angle
calculations. Some other (but not all) alternatives
include:
Other user-friendly options (which do not give ESDs)
are the graphical structure viewing software:
GUI WinORTEP (which will read in a variety of file
format
