From hinde%!at!%oxygen.chem.utk.edu  Tue Jun 16 23:42:52 1998
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Date: Tue, 16 Jun 1998 23:40:36 -0400
From: hinde(+ at +)oxygen.chem.utk.edu (Robert Hinde)
Message-Id: <199806170340.XAA26407 -8 at 8- oxygen.chem.utk.edu>
To: CHEMISTRY ":at:" www.ccl.net
Subject: G: CalDSu error message


I am trying to optimize a molecule at the BP86/aug-cc-pvdz level.
After two optimization steps I get the following message:

 CalDSu:  NOpAll=  0 NOpUse=  0 but NOpSet=  2.
 CalDSu cannot use requested symmetry level.
 Error termination via Lnk1e in /g94dir/g94/l502.exe.

Can anyone tell me what this rather cryptic error message means?
Or better yet, how to avoid it?  :-)

Robert Hinde
Univ. of Tennessee

rhinde ^at^ utk.edu