CCL:G: Gaussian CASSCF configurations list
- From: Jürgen Gräfenstein <jurgen]|[chem.gu.se>
- Subject: CCL:G: Gaussian CASSCF configurations list
- Date: Thu, 10 Nov 2011 22:39:20 +0100
Sent to CCL by: =?iso-8859-1?Q?J=FCrgen_Gr=E4fenstein?= [jurgen(a)chem.gu.se]
Dear Jakub,
Try IOp(4/43=3) (g03).
Best regards,
Jürgen
On 10 Nov, 2011, at 19:46 23, Jakub Lang jakub.lang,gmail.com wrote:
>
> Sent to CCL by: "Jakub Lang" [jakub.lang*gmail.com]
> Hi
>
> does anybody know a keyword to print out the list of the configurations in
G03/G09?
> I have an eigenvalue for each config. but i dont know how configs look
like.
> I want to do a BWCC calculation but to do that i need to know most
important configs.
>
> My input to Gauss.
>
> #P CAS(16,12)/6-311G(d) Pop=full NoSymm
>
> Z-MAT
> etc.
>
> Best Regards
>
> Jakub Lang, Charles Uni Prague
> jakub[dot]lang[at]gmail[dot]com