[Jmol-users] changing colors in isosurface MO

[John K. <jwk...@al...>]

Greetings Jmol users,
By default, Jmol gives red/blue colors to the phases of an MO derived from
a Gaussian population job. But I would like to display the LUMO with the
standard yellow/green coloration. How does one do this in Jmol?

*Gaussian input line:*
#N B3LYP/6-31G(d,p) SP GFINPUT POP=FULL gfprint

*Jmol commands so far:*
load output.log;
model 1.2;
background white;
color bonds gainsboro;
isosurface o24 mo 24 mesh nofill;

*Jmol console output:*
o24 created integration 0.9448826 with cutoff=0.05; isosurface count: 1
isosurface full data range -1.0 to 1.0 with color scheme spanning -1.0 to
1.0

*Jmol graphical output (LUMO of an allylic cation):*
[image: image.png]
Best Regards,
John Keller
University of Alaska Fairbanks