**4. Conclusions**

We have presented here a study of the electronic properties of diamond carbon, namely the band structure and the density of states. These calculations were based on the GPAW and ASE methods. The GPAW code is built on top of the ASE, which is a set of Python modules, and designed to facilitate the configuration, execution, and analysis of atomic/electronic calculations. We performed a comparative study of PBE and PBE0 approximations on lattice constant and diamond gap calculations. Regarding the lattice constant of diamond, we were able to reproduce the experimental value to within 0.2% for PBE0 and within 0.4% for PBE. We also calculated the diamond gap and found that our results are comparable with other experimental and theoretical results. Results show that the hybrid PBE0 was performed better than PBE in reproducing the geometrical and electronic characteristics of diamond. We also optimized diamond structure and found that the calculated band structure and density of states were in agreement with other methods. This chapter provided information for the theoretical and experimental communities working on electronic properties of diamond, which is considered one of the most promising materials for the integrated electronic and photonic, radio, optoelectronic, and quantum device industry.
