Subject: Non convergence in SCF calculation (GAMESS program)

From: "Tapas Kar" <[email-masked]>
Date: Thu, 2 May 2002 12:21:47 -0600

Hi:
I got SCF convergence problem in Gamess. It looks energy is oscillating.
Is there any option in gamess to manage the convergence problem?
Tapas
***********************************************
"We owe a lot to the Indians, who taught us how to count, without
which no worthwhile scientific discovery could have been made."
                                           - Albert Einstein -
"The value of pi was first calculated by Budhayana, and he explained
the concept of what is now known as the Pythagorean Theorem. British
scholars have last year (1999) officially published that Budhayan’s
works dates to the 6th Century, which is long before the European
mathematicians."
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Tapas Kar, Ph. D
Department of Chemistry & Biochemistry
Utah State University
Logan, UT 84322-0300

Tel: 435-797-7230
Fax: 435-797-3390
Email: [email-masked]
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