BNDPKG. A package of programs for the calculation of electronic energy bands by the LCGO method
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Abstract
Title of program: BNDPKG Catalogue number: ACXZ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: IBM 360/65; Installation: Systems Network Computer Centre Louisiana State University, Baton Range, Louisiana 70803, USA Operating system: OS/360 Program language used: FORTRAN IV High speed storage required: words 238 000 bytes + 176 000 bytes extended. 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)
创建时间：
2019-11-11
