Subject: ICON-EDiT and BICON-CEDiT

From: Dominik Bruehwiler <[email-masked]>
Date: Wed, 1 Oct 1997 13:55:26 +0200

Dear CCLers

We can offer the full versions (the WindowsNT binaries along with the
FORTRAN sources) of the following TWO program packages:

   o ICON-EDiT
   o BICON-CEDiT

     ICON-EDiT performs extended Hueckel molecular orbital and oscillator
strengths (i.e. UV/VIS spectra) calculations on molecules.

s,p,d orbitals, a two-body repulsive energy term, different
Wolfsberg-Helmholz formulas, charge iteration procedures, geometry
variation and an FMO option are included.

     BICON-CEDiT performs extended Hueckel molecular and crystal orbital
as well as oscillator strengths calculations on solids. Numerous tools
such as to generate k-point sets or to transform Cartesian into fractional
coordinates and vice versa are also supplied. The energy band and density
of states plot programs make use of Tim Pearsons pgplot graphic library
freely available at http://astro.caltech.edu/~tjp/pgplot (supported on
numerous platforms).

UNIX Makefiles and a dos2unix shell script are included for those wishing
to compile and run the programs under such operating systems.

Both program packages along with extensive manuals can be downloaded at
http://iacrs1.unibe.ch/

Enjoy the programs!

Gion Calzaferri, Martin Braendle, Ruedi Rytz and Dominik Bruehwiler
Department of Chemistry and Biochemistry, University of Bern, Switzerland.