From kwonohy@mail.auburn.edu  Fri Apr 24 18:26:43 1998
Received: from mallard.duc.auburn.edu  for kwonohy@mail.auburn.edu
	by www.ccl.net (8.8.3/950822.1) id RAA13797; Fri, 24 Apr 1998 17:41:58 -0400 (EDT)
Received: from localhost by mallard.duc.auburn.edu (SMI-8.6/SMI-SVR4)
	id QAA04644; Fri, 24 Apr 1998 16:41:58 -0500
Date: Fri, 24 Apr 1998 16:41:58 -0500 (CDT)
From: Ohyun Kwon <kwonohy@mail.auburn.edu>
X-Sender: kwonohy@mallard2
To: chemistry@www.ccl.net
Subject: How to figure out band gap for open shell system
Message-ID: <Pine.SOL.3.95.980424163610.2508A-100000@mallard2>
MIME-Version: 1.0
Content-Type: TEXT/PLAIN; charset=US-ASCII


Dear CCL's;
Is anybody who has experiences about band gap calculations for open shell
system(radical or biradical)? I tried to do CIS calculations for
open shell but failed. I would greatly appreciate it if you give me
advices about this matter.
I am looking forward to hearing from you soon.

Ohyun Kwon
Department of Chemistry
Auburn University



