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.