From owner-chemistry@ccl.net Mon Nov 21 06:27:01 2011
From: "A. anglea a.anglea90:-:yahoo.com" <owner-chemistry*server.ccl.net>
To: CCL
Subject: CCL: AIM calculation - ECP
Message-Id: <-45907-111121062540-20477-vDRx32rTofxfz+xZIS8+lQ*server.ccl.net>
X-Original-From: "A.  anglea" <a.anglea90%yahoo.com>
Date: Mon, 21 Nov 2011 06:25:37 -0500


Sent to CCL by: "A.  anglea" [a.anglea90#,#yahoo.com]
Dear All
I have been away from using AIM calculations for a long time for small 
molecules. As I am aware, AIM calculations are not available for ECP basis 
sets.
Is there anybody evaluated a trick or solved this issue?
If not, what advice/trick can be used to perform AIM combined with ECP?
Is that possible to optimized the system using ECP and then generate the 
wavefunction using full electron basis set? (I don't think it is a nice trick, 
what do you think?)
I am using AIM2000 software
Cheers,