From chaudash \\at// aston.ac.uk  Tue Aug  4 07:38:17 1998
Received: from hermes.aston.ac.uk (hermes.aston.ac.uk [134.151.79.46])
        by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with SMTP id HAA22885
        Tue, 4 Aug 1998 07:38:16 -0400 (EDT)
From: chaudash |-at-| aston.ac.uk
Received: from pharm78100.aston.ac.uk (pharm7145.aston.ac.uk) [134.151.78.100] 
	by hermes.aston.ac.uk with smtp (Exim 1.82 #3)
	id 0z3fUe-0006g6-00; Tue, 4 Aug 1998 12:43:04 +0100
Comments: Authenticated sender is <chaudash /at\pophost.aston.ac.uk>
Organization: aston.ac.uk
To: chemistry -A_T- www.ccl.net
Date: Tue, 4 Aug 1998 12:40:01 +0000
MIME-Version: 1.0
Content-type: text/plain; charset=US-ASCII
Content-transfer-encoding: 7BIT
Subject: RMS gradient
Reply-to:  \\at// aston.ac.uk
Priority: normal
X-mailer: Pegasus Mail for Windows (v2.54)
Message-Id: <E0z3fUe-0006g6-00 $#at#$ hermes.aston.ac.uk>


Hi everyoone,
Just a quick question,
When performing geomtry optimisations via GAMESS 
(semi-empirical/ab-initio), the RMS gradient gradually decreases as 
the calculation progresses, however even though the equilibrium 
geometry is eventually located, the RMS gradient every so often 
'jumps up'.
Can anyone enlighten me as to why this occurs?











Much appreciated