*3.4.2 PBE and PBE0 diamond bands*

In this section, we present the calculation of band gap width of diamond, using the PBE and PBE0 calculation. We use an 8 8 8 Monkhorst-Pack grid (resolution of 512 k-points and 29 k-points in the irreducible part of the Brillouin zone). **Table 5** presents the resulting Γ- Γ and Γ-X gaps obtained for PBE and PBE0 in eV:

*Ab Initio Study of the Electronic and Energy Properties of Diamond Carbon DOI: http://dx.doi.org/10.5772/intechopen.111435*
