From d3g359@fido.pnl.gov  Wed Jul 17 13:14:39 1996
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Date: Wed, 17 Jul 1996 10:02:50 -0700
From: d3g359@fido.pnl.gov (John Nicholas)
Subject: SCI-PCM Model in G94
To: CHEMISTRY@www.ccl.net
Message-id: <199607171702.KAA11580@fido.pnl.gov>
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I have been having problems getting geometries (and in some cases SCF's)
to converge when using the scrf=scipcm option in G94. The higher
the dielectric constant, the more problem there seems to be. Does
anyone have any suggestions on how this problem might be cured? I
have already started with prior hessians and the molecules are simple,
so the problem seems to be the inclusion of solvent effects.

Thanks in advance, John


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  John Nicholas                                 Office: (509) 375-6559
  Senior Research Scientist                        FAX: (509) 375-6631
  Environmental Molecular Sciences Laboratory     
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