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Manuscript Title: Program for calculating LEED intensities using band structure- matching formalism.
Authors: V. Hoffstein
Program title: LEED
Catalogue identifier: ACMH_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 2(1971)341
Programming language: Fortran.
Computer: IBM 360/67.
Operating system: OS 360/67 WATFOR COMPILER.
RAM: 8K words
Word size: 32
Keywords: Solid state physics, Leed, Low energy Electron diffraction, Band Structure, Crystal, Surface, Schroedinger equation, Reciprocal lattice Vectors.
Classification: 7.2.

Nature of problem:
The program computes Low Energy Electron Diffraction (LEED) intensities using the band structure-matching formalism. It calculates the intensity as a function of incident energy or angle for the (001) surface of cubic lattices (sc, fcc or bcc) as well as calculating band structures.

Solution method:
The LEED intensities are obtained by matching at the surface the solutions of Schrodinger's equation inside and outside the crystal.

The crystals are semi-infinite with a step surface potential barrier. The program is designed for calculating LEED intensities from the (001) face only.

Running time:
The time depends crucially on the energy and the number of reciprocal lattice vectors but for most applications it is between 5 and 30 seconds per point.