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DFTB.org

The parameter files that can be requested at the DFTB.org web site, are not part of the ADF distribution. Some references are given below, but for more detailed information see the DFTB.org web site.

For construction of integral tables for O, N, C, H:
M. Elstner, D. Porezag, G. Jungnickel, J. Elsner, M. Haugk, T. Frauenheim, S. Suhai, G. Seifert, Self-consistent charge density functional tight-binding method for simulation of complex material properties. Physical Review B 58, 7260 (1998)

T. Niehaus, M. Elstner, T. Frauenheim, S. Suhai, Application of an approximate density functional method to sulfur containing compounds. Journal of Molecular Structure (THEOCHEM) 541, 185 (2001)

M. Elstner, Q. Cui, P. Munih, E. Kaxiras, T. Frauenheim, M. Karplus, Parametrization of the Self-consistent charge density functional tight-binding (SCC-DFTB) for Zink: Tests and applications. Journal of Computational Chemistry 24, 565 (2003)

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