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Manuscript Title: Lattice dynamics of group IV semiconductors using an adiabatic bond charge model.
Authors: O.H. Nielsen, W. Weber
Catalogue identifier: ACUD_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 18(1979)101
Programming language: Fortran.
Computer: CDC CYBER 173.
Operating system: KRONOS VER.2.1.2-419-C3.
RAM: 12K words
Word size: 60
Keywords: Solid state physics, Semiconductors, Lattice dynamics, Phonons, Dispersion curves, Dynamical matrix, Diamond structure, Adiabatic bond charge Model.
Classification: 7.8.

Nature of problem:
Determination of phonon frequencies and phonon eigenvectors for semiconductors of diamond structure.

Solution method:
The dynamical matrix is calculated from the adiabatic bond charge model. Its eigenvalues and eigenvectors are computed.

Diamond structure only.

Running time:
3.0 s per phonon.