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
