Is the problem that they are clipped? Diffuse orbitals may require
adjustment of the SCALE parameter in the ISOSURFACE command. This will not
change the size of the orbital but instead will scale the box used to
integrate over.
On Fri, Dec 13, 2013 at 3:30 PM, <[email protected]> wrote:
> Dear Jmol users and experts,
>
> I really enjoy jmol.
>
> I am currently using NBO program implemented in Gaussian to output my
> orbitals. Those files (such as case.orbit.40) are fed into jmol to plot my
> orbitals. However, it turns out that the NBO program becomes
> unstable/inappropriate when I have more diffusive orbitals.
>
> My question is whether there are some other programs that interface with
> Gaussian, which output files that can be used by jmol.
>
> I want to thank you so much for your help in advance!
>
> 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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