Dear Prof. Lichtenberger,

The TAPE41 generated by DENSF contains only rho_alpha and rho_beta as
basic data fields.
However, both the old (current) ADFview ADF-GUI module and the new
improved beta-release
for ADFview contain options (called "Calculated Field" in the new
module) to combine
two basic fields. This can for example be used to visualize rho_alpha
minus rho_beta.

Based on the comments we have received so far about the new ADFview module
I feel quite safe in recommending it as clearly superior to the current
version that
was shipped with ADF2004. More information (and some pictures) can
be found here:
http://www.scm.com/News/ADFViewBeta.html
http://www.scm.com/Demos/adfv.html

If you encounter any problem with the procedure described above, please
contact us
at support_at_scm.com for more detailed support.

Best regards,
Stan van Gisbergen

dlichten_at_email.arizona.edu wrote:

>How do I obtain a TAPE41-type grid of the spin density from the TAPE21 of an
>open-shell calculation? If it is done with densf, what are the keyword
>controls?
>
>--
>Dennis L. Lichtenberger
>Professor of Chemistry
>University of Arizona
>
>
Received on 2004-10-30 17:51:51