CCL:PBC calculation

From: Vincent Xianlong Wang <xloongw^at^yahoo.com>
Subject: CCL:PBC calculation
Date: Thu, 14 Apr 2005 13:10:03 -0700 (PDT)

Dear CCLers,
 I'm going to look at the conformation problem in
 molecular crystal, like t-butyl benzene.I want to get
 some advices from experts before plunging into
 calculations.
 1) What are pros and cons related with PBC calculation
 compared with supermolecule (or cluster) model? What
 kind of cautions should I bear in calculations or in
 interpretation of the results?
 2) What is the accuarcy for different theoretical
 level models? How about the computational limits in
 Gaussian?
 Thank you in advance for your suggestions. I would
 appreciate if you could provide me some reference
 work.
 Best,
 Vincent
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