Fortran source listing for simulating three‐dimensional convergent beam patterns with absorption by the Bloch wave method

J. M. Zuo; K. Gjonnes; J. C.H. Spence

doi:10.1002/jemt.1060120105

Fortran source listing for simulating three‐dimensional convergent beam patterns with absorption by the Bloch wave method

J. M. Zuo, K. Gjonnes, J. C.H. Spence

Research output: Contribution to journal › Article › peer-review

Abstract

The FORTRAN source code is given for a computer program that calculates the two-dimensional intensity distribution in convergent-beam transmission electron microdiffraction (CBED) patterns from perfect crystals. The program uses the eigenvalue or Bloch-wave method. It allows three-dimensional dynamical diffraction, and so includes all higher-order Laue zone effects without approximation. No symmetry reduction is included. The program accepts noncentrosymmetric or centrosymmetric crystal structures and allows absorption corrections to be included. It uses the "EISPACK" subroutines for the diagonalisation of a general complex matrix. Up to 100 CBED disks may be included. The code is also available via "Bitnet."

Original language	English (US)
Pages (from-to)	29-55
Number of pages	27
Journal	Journal of Electron Microscopy Technique
Volume	12
Issue number	1
DOIs	https://doi.org/10.1002/jemt.1060120105
State	Published - May 1989
Externally published	Yes

Keywords

Computer program
Electron diffraction

ASJC Scopus subject areas

Anatomy

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10.1002/jemt.1060120105

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AU - Spence, J. C.H.

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N2 - The FORTRAN source code is given for a computer program that calculates the two-dimensional intensity distribution in convergent-beam transmission electron microdiffraction (CBED) patterns from perfect crystals. The program uses the eigenvalue or Bloch-wave method. It allows three-dimensional dynamical diffraction, and so includes all higher-order Laue zone effects without approximation. No symmetry reduction is included. The program accepts noncentrosymmetric or centrosymmetric crystal structures and allows absorption corrections to be included. It uses the "EISPACK" subroutines for the diagonalisation of a general complex matrix. Up to 100 CBED disks may be included. The code is also available via "Bitnet."

AB - The FORTRAN source code is given for a computer program that calculates the two-dimensional intensity distribution in convergent-beam transmission electron microdiffraction (CBED) patterns from perfect crystals. The program uses the eigenvalue or Bloch-wave method. It allows three-dimensional dynamical diffraction, and so includes all higher-order Laue zone effects without approximation. No symmetry reduction is included. The program accepts noncentrosymmetric or centrosymmetric crystal structures and allows absorption corrections to be included. It uses the "EISPACK" subroutines for the diagonalisation of a general complex matrix. Up to 100 CBED disks may be included. The code is also available via "Bitnet."

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KW - Electron diffraction

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Fortran source listing for simulating three‐dimensional convergent beam patterns with absorption by the Bloch wave method

Abstract

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