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Manuscript Title: Computation of photo-electron and Auger-electron diffraction III: evaluation of angle-resolved intensities, PAD3.
Authors: X. Chen, G.R. Harp, Y. Ueda, D.K. Saldin
Program title: PAD3
Catalogue identifier: ADIB_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 112(1998)91
Programming language: Fortran.
Computer: DEC-Alpha workstation.
Operating system: UNIX.
RAM: 1.7M words
Word size: 64
Keywords: Angle resolved, Core level, Photoelectron, Auger, Electron diffraction, Surface structure, Multiple scattering, Electron spectroscopy, Solid state physics.
Classification: 7.2.

Subprograms used:
Cat Id Title Reference
ADHZ_v1_0 PAD1 CPC 112(1998)67
ADIA_v1_0 PAD2 CPC 112(1998)80

Nature of problem:
Multiple scattering cluster calculation of angle-resolved core-level photoelectron diffraction and Auger electron diffraction via a concentric-shell algorithm (CSA).

FOr photoelectron diffraction, only s, p, d, and f core-level emission are allowed in the present code.

Unusual features:

Running time:
FOr the test run, the PAD3 program took 23 seconds to execute on a Silicon Graphics Indigo computer equipped with an R10000 processor.

[1] D.K. Saldin, G.R. Harp, and X. Chen, Phys. Rev. B 48 (1993) 8234.