From owner-chemistry-: at :-ccl.net Thu Sep 21 21:33:00 2006
From: "Parveen Sachdeva pksiit]![gmail.com" <owner-chemistry%a%server.ccl.net>
To: CCL
Subject: CCL: Silica (alpha quartz) configuration
Message-Id: <-32593-060921190139-5739-gPdxW3MWJDw6WRh6ww7CWw%a%server.ccl.net>
X-Original-From: "Parveen  Sachdeva" <pksiit(a)gmail.com>
Date: Thu, 21 Sep 2006 19:01:39 -0400


Sent to CCL by: "Parveen  Sachdeva" [pksiit+*+gmail.com]
Hi Everybody,

I want to generate various configurations of SiO2 (alpha quartz) for molecular dynamics study. I was trying to find some literature online but did not manage much. If anyone can help me suggest some method of generating lattice structures or some software that does that it would be great help. 

I want to generates coordinates of SiO2 as nx,ny,nz number of unit cells in each direction. I hope I'm able to explain what I am trying to do here.

thanks for the help in advance.
Parveen