Ab initiostudy of structural and electronic properties of beryllium

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Abstract
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.