  We report the bulk and surface properties of lithium computed within a full
potential LCGTO formalism using both density functional theory and the
Hartree-Fock approximation. We examine the convergence of computed properties
with respect to numerical approximations and also explore the use of finite
temperature density functional theory. We demonstrate that fully converged
calculations reproduce cohesive properties, elastic constants, band structure,
and surface energies in full agreement with experimental data and, where
available, previous calculations.

Materials Science