From owner-chemistry@ccl.net Wed Dec 1 14:10:00 2010 From: "Victor Rosas Garcia rosas.victor|-|gmail.com" To: CCL Subject: CCL: Periodic System - semi empirical methods Message-Id: <-43253-101201130820-22651-Qb7itTntkoTOUqQkH/hMxg _ server.ccl.net> X-Original-From: Victor Rosas Garcia Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Wed, 1 Dec 2010 12:08:11 -0600 MIME-Version: 1.0 Sent to CCL by: Victor Rosas Garcia [rosas.victor_-_gmail.com] The manual is always online at: http://www.openmopac.net/manual/index.html look at the "Examples" section for how to build a data set for solid state calculations. Hope this helps Victor 2010/12/1 Sanjay Bharathwaj computationalchemist()gmail.com : > Dear Friends, > I would like to know about the programmes that can handle periodic boundary > conditions using semi empirical methods. > I know MOPAC2009 could do that, but i find it difficult to find the > documentation. > In this regards, could any one help me to find something similar if > available for free. > > -- > Regards, > Dr. Sanjay Bharathwaj Kumar, > Dharmendra Institute of Technology, > India. >