CONFINEMENT AND THE CONFINED-LOCALIZED-ORBITAL-PLANE-WAVE METHOD

A mixed basis for electronic structure calculations has been construct ed using a basis set consisting of localized orbitals confined to muff in-tin spheres and plane waves. The confinement smoothly suppresses th e tails of atomic orbitals and hence eliminates multicenter integrals. From linear-muffin-tin orbtial (LMTO) self-consistent potentials the bulk electronic structures of Cu and Si have been obtained as accurate as the original LMTO-type results. The energy-independent confined-lo calized-orbital-plane-wave basis functions enable a full solution with out using linearization schemes.