B2-LYP

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Gets Around

1:27:52 PM PST - Mon, Mar 3rd 2014
Hi, In http://nwchemgit.github.io/index.php/Release62:Density_Functional_Theory_for_Molecules#DISP_... written that "Functionals for which DFT-D3 is available in NWChem are ... B2-LYP ...". Maybe you have in mind the B2-PLYP functional?