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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.

Features:

• 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
• LDA+U

More information

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