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DFTB-D in nwchem

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How can I use DFTB-D in nwchem?

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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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?


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