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Manuscript Title: Calculation of photoemission spectra for surfaces of solids.
Authors: J.F.L. Hopkinson, J.B. Pendry, D.J. Titterington
Program title: PEOVER1
Catalogue identifier: ACZY_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 19(1980)69
Programming language: Fortran.
Computer: IBM 370/165.
Operating system: OS.
RAM: 240K words
Word size: 8
Keywords: Photoemission, Solid state physics, Crystal, Overlayer, Surface, Electron hole, Scattering multiple.
Classification: 7.2.

Revision history:
Type Tit le Reference
correction 000A CORRECTION 31/01/83 See below

Nature of problem:
To calculate the photoemission current as a function of the frequency, polarisation and direction of the electromagnetic radiation, and the energy and direction of the emitted electron from a single crystal surface possibly with ordered overlayers deposited on the surface.

Solution method:
The photoemission from a single atom is calculated to first order in the photon field. The initial and final state corrections are made by calculating the multiple scattering within and between the layers of the crystal. The crystal is described by stacking identical layers of the bulk crystal and any overlayers that are required.

Restrictions:
1) At present the programs assume that there is only one atom per unit cell in a given layer and that the bulk crystal is composed of a stack of identical layers.
2) If any overlayers are included then the lattice of atoms from each layer must be a (proper or improper) sublattice of the layer below. This of course satisfied by the bulk crystal layers.

Unusual features:
All the arrays that have dimensions that depend on the input data are overlaid on a common block. The maximum sizes of the dimensions can then be increased simply by increasing the length of this common block.

Running time:
Approximately 10 s per point on the IBM 370/165 for the test run.

CORRECTION SUMMARY
Manuscript Title: Calculation of photoemission spectra for surfaces of solids. (C.P.C. 19(1980)69).
Authors: J.F.L. Hopkinson, J.B. Pendry, D.J. Titterington
Program title: 000A CORRECTION 31/01/83
Catalogue identifier: ACZY_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 29(1983)417
Classification: 7.2.