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DFTB

For calculations with the Density Functional Tight Binding (DFTB) program

1. T. Frauenheim, G. Seifert, M. Elstner, Z. Hajnal, G. Jungnickel, D. Porezag, S. Suhai and R. Scholz, A Self-Consistent Charge Density-Functional Based Tight-Binding Method for Predictive Materials Simulations in Physics, Chemistry and Biology. Physica Status Solidi (b) 217, 41 (2000)

2. ADF2009.01 DFTB, SCM, Theoretical Chemistry, Vrije Universiteit, Amsterdam, The Netherlands, http://www.scm.com
Optionally, you may add the author: D.A. McCormack

DFTB parameter files available in the ADF package

J. Frenzel, A. F. Oliveira N. Jardillier, T. Heine, and G. Seifert, Semi-relativistic, self-consistent charge Slater-Koster tables for density-functional based tight-binding (DFTB) for materials science simulations, TU-Dresden 2004-2009.

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