Subject: MO contour plotting pgm

From: "Dale A. Braden" <[email-masked]>
Date: Tue, 29 Jun 1999 15:30:25 -0700 (PDT)

Dear CCL,

To echo a question posted earlier today:

Is there any program (even one that costs money) which can use a
Gaussian9x cube or .chk or .fchk file and produce contour plots of
molecular orbitals suitable for black and white printouts?  This would
require solid lines for one phase of the orbital and dashed or dotted
lines for the other phase.  If the program calculates the contours
directly from the wave function, then it must be able to handle open-shell
wave functions including f-type basis functions (and preferably effective 
core potentials as well, although this isn't necessary for my current
application).

I have looked at Spartan, GaussView, gopenmol, molden, viewmol and
gnuplot, but as far as I can tell, none of them can do this.  (The contour
plots I'm talking about are similar to what are called "cut planes" in
gopenmol.)

I'll summarize.

Best wishes to all,

Dale

Dale Braden
Department of Chemistry
University of Oregon
Eugene, OR 97403-1253
[email-masked]