Dear Manuel

If you have adf source code you should take a look at
$ADFDHOME/adfplt/routines/inpt23.d

Starting around line 150 in this file, the grid definition and one of the
data arrays stored on TAPE41 are read using the KF routines from the ADF
library. It is also possible to use an ASCII version of the TAPE but then,
of course, the position of the data in the file has to be located first.

It should be straightforward from there to print the data in data explorer
format and to contruct the individual grid points.

Jochen

On Fri, 28 Oct 2005, manueldoss_at_t-online.de wrote:

>
> Dear ADF-List members,
>
> I'm about writing a converting tool taking tape41 data as input and
> transforming it to OpenDX format.
> Most interesting for me is the visualisation of charge density.
> Unfortunately
> the documentation didn't help to find out how to interprete the given
> tape41
> data. I hope you can tell me what kind of organisation the data in
> Density
> section is in.
>
> Thanks a lot in advance.
>
> Manuel
>
>
>

---------------------------------------------------
 Dr. Jochen Autschbach

 Assistant Professor
 Department of Chemistry
 University at Buffalo
 State University of New York
 312 Natural Sciences Complex
 Buffalo, NY 14260-3000

 EMail : jochena_at_buffalo.edu
 Phone : (+01)-716-645-6800 ext. 2086
 FAX : (+01)-716-645-6963
 WWW : http://www.chem.buffalo.edu/autschbach.php
         http://www.nsm.buffalo.edu/~jochena
---------------------------------------------------
Received on 2005-10-29 00:27:53