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[Licence| Download | New Version Template] acmk_v1_0.gz(21 Kbytes)
Manuscript Title: Program for calculating LEED intensities based on the inelastic collision model: I. Matrix inversion method.
Authors: V. Hoffstein
Catalogue identifier: ACMK_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 7(1974)50
Programming language: Fortran.
Computer: IBM 360/67.
Operating system: OS 360/67.
RAM: 43K words
Word size: 32
Keywords: Solid state physics, Leed, Low energy Electron diffraction, Debye model, T matrix, Inelastic collision Model, Lattice vibration, Muffin-tin.
Classification: 7.2.

Nature of problem:
The program calculates the intensities of electrons diffracted by crystal surfaces as a function of all incidence parameters.

Solution method:
The T matrix method is used to treat multiple scattering and inelastic collisions.

The program is restricted to the following cases: (1) Debye model for lattice vibrations. (2) Constant inelastic collision mean free-path. (3) Phenomenological form of self-energy, (4) Muffin-tin model.

Running time:
The time depends critically on several parameters, phase shift, number of recips used in expansions, etc. This version takes 36 s per point.