High-energy band structure of Al

Results of calculating the band structure of metallic Al in the energy range between 0 and 11 Ry, using a pseudopotential method are described. The pseudopotential is similar to that used by Harrison, with several modifications, such as different treatment of conduction-core electron exchange and keeping the full nonlocality of the pseudopotential throughout all calculations. The results were obtained for Delta, Lambda, and Sigma directions of the fee lattice. The relative degree of convergence in our calculations varies from 0.02 Ry for the lowest-lying band to 0.2 Ry at about 10 Ry. At the low-energy end (i.e., near the Fermi energy) our results are in good agreement with the previously published data.