From owner-chemistry@ccl.net Mon Mar  5 20:51:00 2007
From: "Bingxing Wang wangbx[#]dicp.ac.cn" <owner-chemistry..server.ccl.net>
To: CCL
Subject: CCL:G: how to write this input file?
Message-Id: <-33739-070305103743-27830-HYdNtXetJS2ps197Pd3RZA..server.ccl.net>
X-Original-From: "Bingxing Wang" <wangbx*_*dicp.ac.cn>
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Date: Mon, 5 Mar 2007 23:03:36 +0800
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Sent to CCL by: "Bingxing Wang" [wangbx[-]dicp.ac.cn]
Dear all ccler,
      In an article, it said,"The relativistic effective core potential (ECP) of the Los Alamos National Laboratory 2 ( LANL2)was used to describe the 60 core electrons of a Pt atom. The 5s, 5p, 5d, and 6s valence electrons of the Pt atom were described with split-valence (double-zeta) basis sets." G03 program is used. I want to know how to write the input file. Is it LanL2DZ basis set? Then how about the 5s,5p,5d, and 6s valence electrons? Any suggestion is helpful. Thanks a lot.

	

　　　　　　　　 				

　　　　　　　　　wangbx^_^dicp.ac.cn
　　　　　　　　　　2007-03-05