Welcome to DFTB!
This site contains some information about the Density Functional based Tight Binding (DFTB) method. If you want to know more about this fast and efficient quantum mechanical modelling method, you should read this short description about DFTB and eventually some references about the method and its applications.
The DFTB method has several implementations. For a (non complete) list of the available codes, see the implementations subpage.
If you are looking for parameters (Slater-Koster files), you can download various parameter sets for DFTB+ and DFTB/Gaussian (soon).
New SK set for transition metals in biological systems 2007-09-18
A new parametrisation (trans3d) for 3d transition metals is available. This set extends the biological/molecular set mio. The set was created by Guishan Zheng.
New As-S-H Slater-Koster set available 2007-01-10
A new special parametrization for chalcogenide glasses is available for download (chalc), which was generated in a collaboration of Prof. Thomas Frauenheim with Prof. Stephen Elliott (Cambridge).
Three Slater-Koster sets available 2006-11-30
There are three Slater-Koster parameter sets (mio, pbc, hyb) available for download. They are provided by the groups of Prof. Frauenheim (BCCMS, Uni Bremen) and Prof. Elstner (Theoretical Chemistry, TU Braunschweig). With the help of these sets, the DFTB method can be applied to a broad range of systems, including organic and inorganic molecules, solid semiconductors and semiconductor surfaces and hybrid organic/inorganic systems.