PC GAMESS-related discussion club


Re: Overlap Matrix

Alex Granovsky
gran@classic.chem.msu.su


Hi,

nprint=3 will do the job. Alternatively, you can use exetyp=int1

Best regards,
Alex Granovsky

On Fri Dec 1 '06, Francisco Burgos wrote
----------------------------------------
>Hi dears Pcgamess users
>I have a question about the overlap matrix, Is there an option that print this overlap ?
>My question is to determinate the fukui indexes directly at a single point, I am using the density of homo and lumo as an approximation, but at some articles to get a more exact value it is necesary the overlap of basis.(chem. Phys. Lett vol 304 (1999) 405.

>Ok, thatks at advances

>Fco. Burgos

>


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