The G-Fleur add-on
G-Fleur is a realization of the Green function embedding technique employing the FLAPW basis-set. It is an independent computer program but its development refers directly to the FLEUR code.
- Complex Bandstructures of bulk materials
- Surfaces between semi-infinite bulk and vacuum regions
- Interfaces between semi-infinite bulk leads
- Electronic transport in equilibrium and out of equilibrium
As the code is based on FLEUR many of the FLEUR features can be carried over. For example:
- Non-Collinear Magnetism
- Spin-orbit interaction
That's what G-Fleur is providing: J.E. Inglesfield, A method of embedding J. Phys. C 14, 3795 (1981). D. Wortmann, H. Ishida and S. Blügel, Phys. Rev. B 66, 075113 (2002) and Phys. Rev. B 65, 165103 (2002).
For further details please contact: Daniel Wortmann.