DFT-D

[Matt W]

Hi,

> This is an example for the new D3 method
>          DISPERSION_FUNCTIONAL PAIR_POTENTIAL
>          &PAIR_POTENTIAL
>             TYPE DFTD3
>             REFERENCE_FUNCTIONAL BLYP
>             CALCULATE_C9_TERM .TRUE.
>             PARAMETER_FILE_NAME dftd3.dat
>             R_CUTOFF 15.0
>          &END PAIR_POTENTIAL
>       &END vdW_POTENTIAL
>

sorry, off topic, but as this is here...

Do you recommend the three body (C9) term?  It seems Grimme was
somewhat dubious about it in the original JCP 2010 paper?

Cheers,

Matt