DFT-D3 (vdW 3) Question

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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For vdW 3 Grimme's D3 will be used for any functional. For those that have not been tested and parametrized a default value is used (which might not be the best value). I would recommend using D3 only with the tested functionals.

Right now we only have zero damping available.


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