CCL:G: wave function printing

From: Zork Zou <zorkzou]~[gmail.com>
Subject: CCL:G: wave function printing
Date: Tue, 10 Aug 2010 12:27:32 -0600

Hi Krzysztof,

The aug-cc-pvtz basis set of Ti includes g-functions, but g-functions are not supported by the output=wfn option.

There are two solutions to use g-functions in AIM analysis. One is to use GAMESS(US) to generate the wavefunction file and do AIM using AIMALL. You can also save a checkpoint file in Gaussian and then format it. AIMALL can read it directly.

Best,

Wenli