Re: CCL:How to print overlap matrix in gaussian 03
- From: Nicolas Ferré <nicolas.ferre !!
up.univ-mrs.fr>
- Organization: LCTMM
- Subject: Re: CCL:How to print overlap matrix in gaussian 03
- Date: Wed, 15 Jun 2005 13:21:15 +0200
Hi,
Write IOp(3/33=1) in the keywords. You'll get this matrix together with
the kinetic energy, the potential energy and the core hamiltonian matrices.
renyanliang a (&crit :
> 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!
>
--
*********** Dr. Nicolas Ferre' ***********
Laboratoire de Chimie Theorique et de Modelisation Moleculaire
UMR 6517 - CNRS Universites Aix-Marseille Case 521
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