Confinement and the confined-localized-orbital-plane-wave method

A mixed basis for electronic structure calculations has been constructed using a basis set consisting of localized orbitals confined to muffin-tin spheres and plane waves. The confinement smoothly suppresses the tails of atomic orbitals and hence eliminates multicenter integrals. From linear-muffin-tin orbital (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-localized-orbital-plane-wave basis functions enable a full solution without using linearization schemes.