PC GAMESS/Firefly-related discussion club



Learn how to ask questions correctly


PC GAMESS Equivalents to Gaussian Job

Thomas Patko
tpatko@gmail.com


Hello PC GAMESS Users:

I am looking to find the PC GAMESS equivalent options for the following Gaussian job:

#P B3LYP/cc-pVTZ SCRF(IEFPCM,Solvent=Ether) SCF(Conver=6) NoSymm Test
  Pop=mk IOp(6/33=2) GFInput GFPrint

I believe that I should be using the B3LYP1 hybrid functional (using VWN formula 1 RPA correlation as in Gaussian 98/03/09).  I also realize that I will need to provide my own cc-pVTZ basis set.  More specifically I am looking for equivalents to these specific portions of this this job.

SCRF(IEFPCM,Solvent=Ether)

and

Pop=mk IOp(6/33=2) GFInput GFPrint

If anyone could advise of some suggestions I would be appreciative.

Cheers,

Thomas


[ Previous ] [ Next ] [ Index ]           Tue Aug 4 '09 4:42pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1591 times