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Relativistic parameterization of the SCC-DFTB method

Relativistic parameterization of the SCC-DFTB method. Henryk Witek Institute of Molecular Science & Department of Applied Chemistry National Chiao Tung University Hsinchu, Taiwan. Aims. Provide the DFTB community with a general and easy-to-use tool for developing Slater-Koster files

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Relativistic parameterization of the SCC-DFTB method