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From: John K. <jwk...@al...> - 2025-07-05 18:48:25
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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 |