Subject: RE: AIM code

From: "Shobe, Dave" <[email-masked]>
Date: Wed, 28 Jun 2000 13:21:42 -0400

I'd like to ask a more general question.  The G98 manual lists errors that
can occur, but says nothing about ways to correct them, giving me the
impression that if the AIM code fails for any reason, you're out of luck.
Is there anything one can do when the AIM calculations fail?

--David Shobe
Süd-Chemie Inc.
phone (502) 634-7409
fax     (502) 634-7724
email  [email-masked]

Any opinions herein are not necessarily representative of Süd-Chemie.

-----Original Message-----
From: Alejandro Montoya [mailto:[email-masked]]
Sent: Wednesday, June 28, 2000 3:52 PM
To: [email-masked]
Subject: CCL:AIM code

Hello CCLers,

I would apreciate if someone can point me on what is the best procedure
to obtained the Bond order using the AIM theory when the AIM code fails 
in G98 and an error message is obtained at the end of the file.  

 NO CONVERGENCE IN SVDSOL FOR SURFACE SHEET   14
 Error termination 
       
thanks in advance,

Regards,