Editing ADF View (section)

== '''Analysis''' ==

If possible do the analysis in a single point run.
BOB: Browse the output to find the complete analysis.
Fragments
ADFinput: Select 'Main Options' from the Menu on the right hand side. Select the 'Fragment Analysis' in the
'Preset' menu. Select all atoms that form a fragment. Press and hold the Right mouse button on one of the
selected atoms and select from the popup menu 'New Fragment ...'.
ADFUsersGuide: fragments [1].
Bond energy analysis
ADFinput: No special input is needed.
ADFUsersGuide: bond energy analysis [1].
http://www.scm.com/Doc/Doc2007.01/ADFGUI/ADFGUI_quickreference/print.html
Advanced charge density and MO analysis
ADFinput: No special input is needed.
ADFlevels: Energy diagram.
ADFview: Electron densities, potentials, MOs, ELF, etc.
ADFspectra: Select 'DOS' from the 'Spectra' Menu.
ADFUsersGuide: Mulliken [1], Hirshfeld and Voronoy deformation density [1], Bondorders [1], Bader [1],
NBO [1].
Molecular symmetry
ADFinput: Possibility to symmetrize the molecule with the 'Symmetry' Menu (the button which initially shows
'Nosym' on the top of the drawing area).
ADFUsersGuide: symmetry [1,2].