Summary:G:3D-grid of current density tensors
- From: Daniel Geuenich <dgeuenic (- at -) tu-bs.de>
- Subject: Summary:G:3D-grid of current density tensors
- Date: Tue, 23 Jun 1998 08:52:56 +0000
Dear CCL-lers,
Some days ago I asked the following question:
> My question concerns the computation of
> NMR/magnetic properties under Gaussian 94.
>
> I am interested in generating a plot of the current density.
> When using the NMR=CSGT or NMR=IGAIM keyword, Gaussian 94
> prints only one current density tensor, but what I need is
> a calculation of the current density tensor over a
> 3-dimensional grid of points.
>
> Is it possible to do this with Gaussian 94? When not, which
> program is capable of doing such a job?
Here is the only answer I received:
> Dr. Geuenich,
>
> G94 does not include this capability. I know that some work
> by Todd Keith with ProAIMS and the IGAIM option he worked on could
> generate this but I don't believe it is in the distributed version of
> ProAIM.
Thanks to D. J. Fox.