Yes, that is what it means. On Tue, Jun 16, 2015 at 7:00 AM, Ward Poelmans <wpoel...@gmail.com> wrote:
> Hi, > > I've got a question about the cut off for plotting molecular orbitals > and isosurfaces. I want to plot my orbitals from a molden file and I > noticed that molden and Jmol need a different cut off value to produce > the same orbital shapes. > When I put the cut off to 0.05 in Jmol, does that mean I get the surface: > orbital(x,y,z)=0.05 in red and orbital(x,y,z)=-0.05 in blue? > (where orbital(x,y,z) is the linear combination of Gaussian type > orbitals from my molden file). > > Best regards, > > Ward > > > ------------------------------------------------------------------------------ > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > -- Robert M. Hanson Larson-Anderson Professor of Chemistry Chair, Department 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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