Figure 19: Spin-polarized DOS for the O2 molecule.You can see in Figure 19 that there are two different densities of states for the two spins. One has7 electrons in it (the blue lines), and the other has 5 electrons in it (the green line). The difference oftwo electrons leads to the magnetic moment of 2 which we calculated earlier. Remember that only peaksin the DOS below the Fermi level are occupied. It is customary to set the Fermi level to 0 eV in DOSplots. The peaks roughly correspond to electrons. For example, the blue peak between -25 and -30 eV61corresponds to one electron, in a 1s orbital, where as the blue peak between -5 and -10 eV correspondsto three electrons.Convergence study of the O2 dissociation energy
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