Sept. 30, 2013
8:03 a.m.
Benjamín Santos <caos21@gmail.com> writes:
Is the Knitting algorithm (K. Kazymyrenko, X. Waintal, Phys. Rev. B 77, 115119 (2008)) implemented in kwant?
It's not, as the available MUMPS-based sparse solver is more efficient. However, for very large systems (i.e. long wires) where the MUMPS-solver runs out of memory, a RGF- or knitting-based solver would be useful. A prototype RGF solver for Kwant that uses graph slicing (as described in Chapter 4 of the PhD thesis of Michael, http://epub.uni-regensburg.de/12142/) exists, but needs some more work before it can be released. We would be happy to assist, if someone likes to work on this.