CCL: Oniom and Si Cluster
- From: Stefan Motiu <talposanul=yahoo.com>
- Subject: CCL: Oniom and Si Cluster
- Date: Sun, 10 Jun 2007 09:37:14 -0700 (PDT)
Perhaps adding SCF =
XQC, to your key words, may insure convergence. Alternatively, increasing the
number of cycles to 512 or more may also work.
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