Proper inclusion of van der Waals (vdW) interactions in theoretical
simulations based on standard density functional theory (DFT) is crucial to
describe the physics and chemistry of systems such as organic and layered
materials. Many encouraging approaches have been proposed to combine vdW
interactions with standard approximate DFT calculations. Despite many vdW
studies, there is no consensus on the reliability of vdW methods. To help
further development of vdW methods, we have assessed various vdW functionals
through the calculation of structural prop- erties at equilibrium, such as
lattice constants, bulk moduli, and cohesive energies, for bulk solids,
including alkali, alkali-earth, and transition metals, with BCC, FCC, and
diamond structures as the ground state structure. These results provide
important information for the vdW-related materials research, which is
essential for designing and optimizing materials systems for desired physical
and chemical properties.Comment: 10 pages, 6 Figures, 3 Table