DOS (density of states)

Select the 'DOS' command from the 'Spectra' menu. Part of the results of the calculation is typically a large number of orbital energies. These may be graphically represented as a DOS (density of states).

The little red line below the horizontal energy axis corresponds to the Fermi level (the highest occupied orbital). The height of the peaks depend on the number of peaks close together (real or accidental degeneracies).

When you move the mouse above a peak, a pop-up will provide detailed information. When clicking on a line in this pop-up window, the corresponding orbital will be shown using ADFview.

The orbital energies, with their symmetry and occupation numbers, are also available from the menu.

 

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