9. Density of states calculation

In this section we introduce density of states (DOS) calculations. Note that the DOS can always be calculated at the end of a self-consistent calculation by setting dos.status equal to true. However, obtaining a fine-grained DOS generally requires a much finer k-sampling than converging the total energy or ground state density does. It is thus usually more efficient to calculate the DOS in a separate non-self-consistent calculation, hence the need for a specific DOS calculation type.

• 9.1. Example: DOS of nickel
• 9.2. Example: PDOS of graphene
• 9.3. Example: LDOS of graphene