From owner-chemistry {*at*} ccl.net Thu May 25 00:21:00 2006 From: "Ary Junior junior[A]aryjr.com" To: CCL Subject: CCL: Cluster Expansion with ATAT Message-Id: <-31833-060524223903-26752-R0uJMP4+b0vJ5UAmDkAhgw ~~ server.ccl.net> X-Original-From: "Ary Junior" Content-Disposition: inline Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Wed, 24 May 2006 22:38:35 -0300 MIME-Version: 1.0 Sent to CCL by: "Ary Junior" [junior^^^aryjr.com] Helo! Please, anybody uses ATAT [1] to work with cluster expansion for thermodynamics of oxides with substitutional disorder? Which is the better way to choose a unit cell for my lat.in file? [1] http://cms.northwestern.edu/atat/ Thanks very much! Ary Junior