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Manuscript Title: Symmetry and band structure. III. Construction of symmetrized Hamiltonian matrix.
Authors: V. Hoffstein, O. Moller
Program title: SYMMETRY AND BAND STRUCTURE 3
Catalogue identifier: ACMF_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 2(1971)26
Programming language: Fortran.
Computer: IBM 360/50.
Operating system: 0S 360/50 WATFOR COMPILER.
RAM: 9K words
Word size: 32
Keywords: Solid state physics, Band structure, Symmetry, Group theory, Symmetrized plane waves.
Classification: 7.3.

Subprograms used:
Cat Id Title Reference
ACME_v1_0 SYMMETRY AND BAND STRUCTURE 2 CPC 2(1971)17

Nature of problem:
The third section of a program to perform the symmetry part of band structure calculations. This part constructs symmetrized plane waves and evaluates matrix elements between them.

Solution method:
Expansion of the wave function in terms of symmetrized plane waves.

Restrictions:
Limited to cubic lattices.

Running time:
15-30 s.