Dear kwant users and developers,
this is my first post to this list, I'm a PhD student from Berlin. Currently I'm trying to implement a lattice model of a pyrochlore slab in kwant.
I found a (more or less straightforward) way to introduce periodic boundary conditions in the system in the maillinglist archive. This works very nicely as long as I keep the periodicity along a lattice vector.
But I run into problems when I choose different directions: Most of the time all solvers fail with a "LinAlgError: QZ iteration failed to converge in zgges".
I know about this post http://comments.gmane.org/gmane.comp.science.kwant.user/372 but in my case it occurs not only for a band bottom, but for a range of energies.
To give you all the details I prepared a Ipython notebook that you can view here: http://nbviewer.ipython.org/gist/faucon/729050da5e3f2eae1bb8#
(Note that the inclusion of complex next-nearest-neighbor hopping is crucial to produce the error, I tried to create the shortest example which reproduces my problem).
Do you have any idea how to circumvent this problem? Is it somehow related to http://netlib.org/lapack/Errata/vrac/lapack_known_issues.html#QZ this problem in Lapack?
I would be thankful for any hint, Best, Maximilian