BNDPKG. A package of programs for the calculation of electronic energy bands by the LCGO method

No. of bits in a byte: 8 Overlay structure: none No. of magn... Title of program: BNDPKG Catalogue Id: ACXZ_v1_0 Nature of problem This program calculates self-consistent energy levels, wave functions and the density of states for cubic crystals with one atom per unit cell (simple cubic, body centered, or face centered) by expansion in a set of independent Gaussian orbitals. Versions of this program held in the CPC repository in Mendeley Data ACXZ_v1_0; BNDPKG; 10.1016/0010-4655(78)90003-6 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)