B2-LYP

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?

Forum Regular	6:46:15 PM PDT - Tue, Apr 8th 2014 Hi P99, Thanks for the comment. It has been fixed in http://nwchemgit.github.io/index.php/Release64:Density_Functional_Theory_for_Molecules#DISP_... for the coming release. Huub

Forum Regular	6:47:34 PM PDT - Tue, Apr 8th 2014 Hi P99, Thanks for the comment. It has been fixed in http://nwchemgit.github.io/index.php/Release64:Density_Functional_Theory_for_Molecules#DISP_... for the coming release. Huub

Gets Around	7:51:17 AM PDT - Sun, Apr 20th 2014 Thank you. Does this mean that in the current version B2PLYP-D3 does not work? But if it works, then would you be so kind as to give me a working example?

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