From owner-chemistry@ccl.net Fri Aug 13 09:08:01 2010 From: "wangzc^iccas.ac.cn" To: CCL Subject: CCL: What is the meaning of minus value of Mulliken atomic spin densities? Message-Id: <-42522-100813074822-7581-yGGP5e/bi0doIbpsrsHzoQ^-^server.ccl.net> X-Original-From: wangzc|a|iccas.ac.cn Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=windows-1252 Date: Fri, 13 Aug 2010 19:48:04 +0800 (CST) MIME-Version: 1.0 Sent to CCL by: wangzc[*]iccas.ac.cn Dear all, Recently I calculated a structure with MINUS value of Mulliken atomic spin densities,anyone can tell me how to understand that minus value? Thanks very much!