From owner-chemistry@ccl.net Tue Mar 10 07:03:00 2015
From: "partha kundu partha1kundu]|[gmail.com" <owner-chemistry,+,server.ccl.net>
To: CCL
Subject: CCL:G: modeling crystal by gaussian
Message-Id: <-51101-150310065933-19352-2BZu1+asIyv/G9iU9IfMUQ,+,server.ccl.net>
X-Original-From: partha kundu <partha1kundu-$-gmail.com>
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Date: Tue, 10 Mar 2015 16:28:47 +0530
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Sent to CCL by: partha kundu [partha1kundu.:.gmail.com]
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Dear All,
While modeling a crystal structure by Gaussian we neglect the periodic
boundary condition. How far the model is successful in predicting the
property of the solid? What are its limitation?
Partha P. Kundu

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<div dir=3D"ltr"><div>Dear All,<br></div>While modeling a crystal structure=
 by Gaussian we neglect the periodic boundary condition. How far the model =
is successful in predicting the property of the solid? What are its limitat=
ion?<br clear=3D"all"><div><div><div><div class=3D"gmail_signature"><div di=
r=3D"ltr"><div><div><div><span></span> Partha P. Kundu <br></div><br><span>=
</span><span></span></div></div></div></div></div>
</div></div></div>

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