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cp2k/data/DFTB
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Robert Schade 70c84df1d3 additional DFTB-scc parametrizations for oxygen and hydrogen, see J. Chem. Phys. 141, 22D528 (2014), and references therein
2018-12-29 15:30:46 +01:00
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nonscc Move DFTB parameters into data/DFTB 2014-10-15 14:59:34 +00:00
scc additional DFTB-scc parametrizations for oxygen and hydrogen, see J. Chem. Phys. 141, 22D528 (2014), and references therein 2018-12-29 15:30:46 +01:00
uff_table Move DFTB parameters into data/DFTB 2014-10-15 14:59:34 +00:00