I am attempting to figure out which of the 14 conventional Bravais lattices a system is given only the three lattice vectors. I am looking to program this myself without the aid of any software package. Thanks!
Good luck. :-) The seven lattice systems can of course be distinguished from their special conditions on lattice angles and relative lengths of the edges. But the centering of the cell, which defines the 14 Bravais lattices, does not change the lattice vectors at all.
Thank you! I have spent the morning working on a symmetry routine. One step at a time I suppose. :)
On afterthought, if the three vectors one starts with are not the edges of the full unit cell, but of the asymmetric unit, the task is possible. In this one can check, whether the larger, centered unit cell can be constructed.
So the vectors that I will be using will be of the primitive cell. The atomic positions will also be of the primitive cell.
I plan to use this flow chart:
http://pubs.acs.org/doi/pdf/10.1021/ed064p216
to construct the logic to pick out the point group.
From the point group I will be able to find the Bravais lattice. If you have any advice or knowledge of possible problems I may run into I would be more than happy to hear it!
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