Programs in Physics & Physical Chemistry
|[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|
|Program title: ICMLEED-MATRIX INVERSION|
|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.|
Nature of problem:
The program calculates the intensities of electrons diffracted by crystal surfaces as a function of all incidence parameters.
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.
The time depends critically on several parameters, phase shift, number of recips used in expansions, etc. This version takes 36 s per point.
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