please send the file or a link to it to [email protected]
On Fri, Jul 19, 2013 at 8:03 AM, <[email protected]> wrote:
>
> Dear Jmol experts,
>
> This is the very first time that I use jmol. It is really nice. However, I
> can not plot those diffuse orbitals. Their values are smaller and highly
> delocalized. I fought for several weeks now by checking prior emails and
> manuals, but I could not figure it
> out. In other words, I can plot other orbitals very well, but not those
> delocalized orbitals. Can I lower the threshold somehow?
>
> This is my macros.
>
> reset; load /home/gpzhang/gaussian/nbo/631plus.orbit.40; isosurface
> color [247,255,71] [113,168,254] mo 195;isosurface translucent 0.01; mo
> cutoff 0.0001; isosurface cutoff 1
>
>
> If I enter mo 194, it works.
>
>
> If you need anything else, please let me know. My version is the second
> newest one.
>
> Thank you so much!
>
> Best regards,
>
> Guoping
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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