Subject: Re: CCL:How to print overlap matrix in gaussian 03

From: Gustavo Seabra <gustavo.seabra !! gmail.com>
Date: Wed, 15 Jun 2005 11:18:41 -0400

On 6/14/05, renyanliang <yanliangren_2002 !! yahoo.com.cn> wrote:
> 
> Dear All:
> Now, I want to check the overlap integral matrix
> (S) in the output file of the gaussian 03 program, who
> can give me some advice to make gaussian 03 print this
> matrix. or which program can print it.
> Best Wish!

Try using IOp(4/34=1). But beware: it will print **a lot** of stuff. Try it 
with a single point calculation first.

HTH.

-- 
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Gustavo Seabra Postdoctoral Associate
Quantum Theory Project University of Florida
Registered Linux user number 381680
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