Re: CCL:how to print Fock matrix in Gaussian

Hi,

The SCF equations are resolved in link 402 when using semi empirical methods. You thus
have to use the iop 4/33 to print more informations than usual.
To get the Fock matrix in a lower triangular form, just add "iop(4/33=4)" in your command line.
Please note that this will give you the desired information for each SCF iteration.

I hope this will help you,

Yohann
 

jz7/at/duke.edu wrote:

Dear all,

How should I write the command line to print the Fock matrix using INDO
method in Gaussian (just a single point calculation)?

Thanks a lot!

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-- 
               
 Yohann MOREAU,
 Doctorant                 
        Equipe de Chimie et Biochimie
 Théoriques   
               
 UMR CNRS-UHP 7565 "SRMSC"        
           BP 239, F-54506
 Vandoeuvre-lès-Nancy  
 http://www.lctn.uhp-nancy.fr/Etudiants/Yohann.Moreau.html