DFTB-D in nwchem

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Forum Vet

12:02:59 PM PST - Wed, Mar 7th 2012
While we do have the dispersion terms, we do not have the tight binding DFT (DFTB) functionality. Bert Quote:Lmyiop Mar 5th 6:00 am How can I use DFTB-D in nwchem?