We performed total-energy calculations by the scalar-relativistic augmented-plane-wave method in the local-density and muffin-tin approximations for all 3d, 4d, and 5d transition metals in the fcc and bcc structures. These calculations predict the correct equilibrium structure and give good agreement with experiment and other calculations for lattice constants and bulk moduli.

• Received 18 October 1991

DOI:https://doi.org/10.1103/PhysRevB.45.5777