|Posted on Thursday, October 08, 2009 - 3:47 pm: |
(and thank for your previous answer)
I am having a problem visualizing HOMO & LUMO with MOViewer (version 8.1).
Any time that I click in the "Electrophilic (HOMO) frontier density" in the output section "Molecular Orbitals", what I get in the viewer window is the Electrostatic Potential mapped into the Electron Density.
This behavior is the same for all the "shortcuts" buttons (in the MOViewer window).
I only get the right plot when I click over the glass in each orbital line. So if I want to plot the HOMO/LUMO, I have to look for the orbital occupancy column.
This always happens for different operative systems:
- Windows Vista Home (32bits)
- Windows XP Pro (32bits, 64bits)
- Windows 7 (64bits)
- CentOS 5.2 (64bits)
- Ubuntu 9.04 (64bits)
All running different update of version 6 of Java.