From chemistry-request@ccl.net Wed Aug 14 15:48:34 1991
Date: Wed, 14 Aug 1991 15:25 EDT
From: Stephen Urquhart <URQUHART%SSCvax.CIS.McMaster.CA@OHSTVMA.ACS.OHIO-STATE.EDU>
Subject: Wanted: Extended Huckel Orbital Display/Plotting Code
To: chemistry@ccl.net
Status: R


     I am working on a way to display and plot s, p and d orbitals
calculated from Extended Huckel calculations. Would anyone have
code, or directions to a source of code that could do this?
Preferred code would be for a PC, but I do have access to VAX and
unix machines, and I'll go with what ever works.

     At present, I am working on a technique (on a PC) that builds
acrospin input from EHT output, but in the lack of through
documentation for acrospin, I'm not getting very far.

     While I am talking to users of EHT, does anyone have a version
of Huckel that works for more than 60 atoms, or have any experience
in extending the code to this purpose?

          Many thanks!

          Stephen Urquhart

Undergraduate, Chemistry and Physics IV
McMaster University, Hamilton, Ontario, Canada
URQUHART@SSCvax.CIS.McMaster.Ca
525-9140, x4864