Hi,
Follow this example.
# b3lyp/gen pseudo=read opt
Title Card Required
0
2
Ca
La 1 R
R 0.9
Ca 0
6-311+g(d)
****
La 0
Lanl2dz
****
La 0
Lanl2dz
Regards,
Wu
>From: "Jerome Baudry" <jerome{at}scs.uiuc.edu>
>To: chemistry{at}ccl.net
>Subject: CCL:Gaussian: mixing basis sets ?
>Date: Mon, 23 Aug 2004 15:01:17 -0500
>
>Dear list
>Do you know how (is possible) to assign different basis sets to
parts of the
>same calculation. For example I want to describe some Ag atoms by
basis set
>A and a water molecule by basis set B.Couldn't find anything in
the Gaussian
>technical help website.
>
>Thanks,
>Jerome
>
>----------------------------------------------------------
>Jerome Baudry, Ph.D. Senior
Research Scientist, VizLab Manager.
>School of Chemical Sciences University of
Illinois at Urbana-Champaign
>505 S. Mathews Ave.; Box 2.1; Urbana, IL, 61801
> Phone: (1) (217) 244 3210; Fax: (1) (217) 333
3120; e-mail:
>jerome{at}scs.uiuc.edu
>
>
>
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