| 1:40:22 PM PST - Mon, Dec 4th 2017 |
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This should not work.
Could you please post the full output file to a public website?
Thanks
Quote:Lmihael Oct 26th 11:11 pmHello.
The documentation states: "vdw 4 triggers the DFT-D3BJ dispersion model. Currently only BLYP, B3LYP, BHLYP, TPSS, and TPSSh are supported."
But this input works (nwchem revision 27746):
DFT
xc m06-2x;
mult 1
rodft
disp vdw 4
END
Does it work correctly? |