To get a numpy array with the coordinates of each site, you can use
np.array([sys.pos(i) for i in range(sys.graph.num_nodes)])
for a finalized system.
It is up to you to transform this into any other desired format.
On Thu, Feb 19, 2015 at 10:58 PM, George Yumnam firstname.lastname@example.org wrote:
Dear Prof. Anton,
For a simple case, say after generating a Graphene sheet. I can plot it using kwant.plot(sys) and I can see the structure on the graphic window but I am not able to access this structure in any other way. I would like to obtain positions of each carbon atoms in a file so that it can be visualized in softwares like Vesta and Crystalmaker. So the preferred format is ".xyz" format, something like the one I have attached with this email. I understand that kwant is a package to perform quantum transport numerically. But I want to access the structures, created before the calculations, for analyzing if it is the desired structure for my problem.
Sincerely, George Yumnam