Hi,

One small point. You can get the ADFrom and ADFrom99 binaries from SCM
(v1.2 for Linux, Alpha and SGI, and v99 for Linux and Alpha). You need to
have a login name and password though. However, you should have this if you
are using ADF. Go to:

http://www.scm.com and click on "Contributed Software"

Hope this helps,

Peter Howe
The University of York

Dave Price wrote:

> Firstly, sorry for the delay in this and thank you to everyone who
> e-mailed me.
>
> The two main programs that people suggested are-
>
> Molekel from Stefan Portmann <portmann_at_igc.phys.chem.ethz.ch>
>
> http://igc.ethz.ch/molekel/
>
> He now has a version that runs with ADF1999, but was unsure whether
> the units of the TAPE41 files in ADF1999 were in bohr or more
> correctly observed the UNITS keyword and were in Angstroms so
> orbitals are currently unavailable. I have e-mailed him the
> information and there should be a fully functional (no pun intended)
> version very soon.
>
> and
>
> Molden from G.Schaftenaar
>
> http://www.caos.kun.nl/~schaft/molden/molden.html
>
> and the utility program to convert ADF files to molden format-
>
> http://www-chem.unifr.ch/ac/phd/fmariotti/ADFrom.html
>
> To use this with ADF1999 you need the source code for ADF1999
> (well, three files from it) as there is no binary for the ADF1999
> version.
> Cheers,
> Dave
>
> Thanks to -
> Henry Chermette, Attila Berces, Alessandro Bencini, christoph widauer,
> Luigi Cavallo, Matthew A. Lynn, Øystein Espelid and Francesco Lelj.
> --
> ------------------------------------------------------------------------
>
> Dr. David W. Price, Tel: +44 (0)118 9875123 extn 7415
> Department of Chemistry, Fax: +44 (0)118 9316331
> University of Reading, mailto:d.w.price_at_reading.ac.uk
> Whiteknights,
> READING http://www.chem.rdg.ac.uk/g50/mmrg/dave/dave.html
> RG6 6AD
> U.K.
>
> ------------------------------------------------------------------------
Received on 2000-01-31 15:01:56