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Calcul numérique de la fonction harmonique sphérique généralisée dotée des propriétés de symétrie du cristal cubique ou hexagonal
Author(s) -
Durand G.,
Bernadou J.P.,
Fries J.F.
Publication year - 1977
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889877013995
Subject(s) - symmetry (geometry) , physics , homogeneous space , hexagonal crystal system , crystal (programming language) , function (biology) , limiting , condensed matter physics , geometry , crystallography , mathematics , chemistry , computer science , evolutionary biology , programming language , biology , mechanical engineering , engineering
The three‐dimensional quantitative analysis of the distribution function f ( g ) of crystalline orientations requires knowledge of the numerical values of the generalized spherical harmonic function endowed with crystal and sample symmetries. A Fortran program has been written in order to compute this function for cubic or hexagonal crystal symmetry, without a limiting assumption about sample symmetry – except Friedel's law which imposes only a centre of symmetry on the sample. The entire utilization of the relations arising from symmetries allows one to limit the amount of calculation and to obtain the results quickly and easily. This program can be used on a 32‐bit‐word computer of which the compiler does not work with complex numbers.