Orbital energy levels: ADFlevels

Select your job in the ADFjobs window by clicking on the job name
Select the 'Levels' command from the SCM menu

ADFlevels will start and show a diagram of the energy levels of the ethanol molecule.

In the diagram you can see from what fragment types the molecular levels are composed.

Balloons will pop up with information about the level at the mouse position.

Click and hold on the HOMO level of the molecule




In the pop-up that appears, select 'Show Labels'

Click and hold on the HOMO of the O fragment type
In the pop-up, select 'Show Labels'




To actually see the orbital, select the orbital from the top of the pop-up menu:

Click and hold on the HOMO level of ethanol
Select the '10A' command


A window with a picture of the orbital should appear.



You can move (rotate, translate and zoom) the orbital with your mouse.


In the window with the orbital: select Quit from the File menu
In the window with the levels: select Quit from the File menu