WebMO Support Forum: HOMO & LUMO: Property Map to Isosurface

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WebMO Support Forum » Running WebMO Jobs » View Molecular Orbitals » HOMO & LUMO: Property Map to Isosurface

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Steven Houle
Unregistered guest

Posted on Thursday, June 19, 2008 - 3:29 pm:

I'm doing research for my professor at the University of Houston, and I'm using WebMO Pro version 6.1.013p with MOViewer 6.0 to view the Molecular Orbitals calculated for the molecule I'm simulating.
Whenever I try to view the HOMO and LUMO frontier orbitals for the molecule, they always show up on the viewer as nothing more than property maps on the electron density isosurface.
What do I have to do to get them to show up on the Viewer as their own isosurfaces instead of maps on the electron density isosurface?

JR Schmidt
Moderator
Username: Schmidt

Post Number: 42
Registered: 11-2006

Posted on Thursday, June 19, 2008 - 3:51 pm:

Unfortunately there is not currently a way to accomplish this. Depending on what version of MOViewer you are using, it may be possible to take a slice through the isosurface and see contours of the frontier density, but there is currently no way to plot isosurfaces of that property.

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