CCL:G: how to write this input file?
- From: "Bingxing Wang" <wangbx*_*dicp.ac.cn>
- Subject: CCL:G: how to write this input file?
- Date: Mon, 5 Mar 2007 23:03:36 +0800
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