CCL:G: How to run a B3LYP-D3 calculation in GAMESS program?



Maryam,
 If you search for Grimme in the INPUT.DOC file, you will get sth. like the
 following:
               empirical dispersion corrections:
 DC     = a flag to turn on Grimme's empirical dispersion
          correction, involving scaled R**(-6) terms.
          Parameters are basis set and functional
          dependent, so they exist for only a few DFTTYP.
          See R.Peverati and K.K.Baldridge J.Chem.Theory
          Comput. 4, 2030(2008) for more values, which can
          be entered using DCPAR.
          (default=.FALSE., except when DFTTYP=B97-D)
          N.B.  This empiricism may also be added to plain
          Hartree-Fock, by choosing DFTTYP=NONE with DC=.T.
 DCOLD  = a flag to use Grimme's original 2004 dispersion
          correction, this forces DC=.T. (default=.FALSE.)
 DCPAR  = Grimme's parameter S6 for scaling a C6 term added
          as an empirical correction to otherwise unchanged
          functionals (showing Grimme's default for S6):
          BLYP(1.20), PBE(0.75), BP86(1.05), TPSS(1.00),
          B3LYP(1.05), B2PLYP(0.55).  For B97-D, the -D also
          changes the original functional, and the scale
          factor is 1.25.  DC works for other functionals,
          if you make up your own value for DCPAR.
 DCEXP  = Grimme's parameter SR to scale the van der Waals
          radii in the damping function.  Relevant if DC=.T.
          (default=1.0, except B2PLYP which uses 1.30)
 Yingbin Ge
 On Mon, Nov 16, 2015 at 7:52 AM, Maryam Sangani maryamrahmani794 . yahoo.com
 <owner-chemistry(~)ccl.net> wrote:
 >
 > Sent to CCL by: "Maryam  Sangani" [maryamrahmani794(0)yahoo.com]
 >  I want to do calculations using dispersion corrected B3LYP level in
 > GAMESS program. I know how to run it in Gaussian 09 with the keyword
 > iop(3/124=3).  How to run a B3LYP-D3 calculation in GAMESS?
 > It will be great if you can clarify me about these points.
 > Thank you for the help,
 > Regards
 > Maryam>
 >
 >