cam-b3lyp with Grimme DFT-D3
Clicked A Few Times
2:04:12 PM PDT - Sat, Sep 1st 2018
Hello all,

Does anyone know if it's possible to use cam-b3lyp with Grimme's D3 dispersion model, so vdw 3 in the DFT dispersion section?

I'm using NWChem 6.8.

Thanks for the help,
Stacey

Forum Vet
12:03:07 PM PDT - Tue, Sep 4th 2018
cam-b3lyp with D3 correction is available in version 6.8, but only with BJ damping function

xc xcamb88 1.00 lyp 0.81 vwn_5 0.19 hfexch 1.00
cam 0.33 cam_alpha 0.19 cam_beta 0.46
disp vdw 4


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