Hi
WHile running QM/MM calculation if in qm_theory I put 'SCC-DFTB' or 'DFTB' is that both different method?
I ac understand 'SCC-DFTB' is self-consistent charge extension of DFTB and 'DFTB' Density-functional tight-binding.
Can anyone make me clear that does writing any one of the above will treat differently?
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Received on Tue Sep 20 2016 - 08:00:04 PDT
