Dear Francois,
The IOP keyword is for the printing option.
iop(6/33=2) Output the ESP data to the standard output file for
Gaussian.
In the gaussian 98 Programmer's reference, IOP is described on page 11.
pascal
FyD wrote:
>
> Dear All,
>
> I calculate MEP in g98 using information printed by AMBER developpers at
> http://sigyn.compchem.ucsf.edu/amber/Questions/resp.txt
> It is written:
> "Add iop(6,33=2) to your gaussian command line viz.
> # hf/sto-3g pop=mk iop(6/33=2)
> This is does NOT appear in the g94 manual, so trust me :-)"
>
> I would be interested to know what it the meaning of the internal command "iop
> (6/33=2)". I think it is not explained in the g98 manual.
>
> Thanks, Kind regards, Francois
>
>
--
***************************************************
Dr. Pascal Bonnet
School of Pharmacy and Pharmaceutical Sciences,
University of Manchester, Oxford Road,
Manchester, M13 9PL, U.K
Tel:(+44) (0)161 275 2431
http://www.man.ac.uk/~mbpsspb3
Received on Mon Nov 11 2002 - 03:05:55 PST
