An ab initio calculation of the structural and electronic properties of beryllium is presented. The calculational method used is the self-consistent pseudopotential approach within the local-density-functional scheme. The calculated lattice constants, cohesive energy, bulk modulus, Poisson's ratio, electronic band structure, density of states, and charge density are all in good agreement with the experimental measurements.

• Received 18 May 1983

DOI:https://doi.org/10.1103/PhysRevB.28.4179