Page Comparison

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1. Start Avagadro by running the Avagadro Application
2. Under File menu Open the previous log file from SEAGrid → Experiment Data → Experiment Folder→ gaussian.log
3. Under Extension Select Spectra 
   1. One can change the Gaussian widths and other plot variables under Advanced setting
      
      Molden Post Processing
      execute molden with the gaussian log file
      (

      ~/Applications/gmolden5.1.macosX.64 gaussian.log  on  a Mac)

   2. Use the density mode and set the space for contour to .06 

   3. Select Orbital to open the orbital selection panel

   4. adjust the space for contour until the desired contour is plotted

   5. Chose Geom Conv to plot optimization convergence plots.

   6. Click on the skull and confirm exit to quit molden program.