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Acta Crystallogr A. 2006 Mar;62(Pt 2):115-28. Epub 2006 Feb 18.

Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups.

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1
Departamento de Física de la Materia Condensada, Universidad del País Vasco, E-48080 Bilbao, Spain.

Abstract

The Bilbao Crystallographic Server is a web site with crystallographic programs and databases freely available on-line (http://www.cryst.ehu.es). The server gives access to general information related to crystallographic symmetry groups (generators, general and special positions, maximal subgroups, Brillouin zones etc.). Apart from the simple tools for retrieving the stored data, there are programs for the analysis of group-subgroup relations between space groups (subgroups and supergroups, Wyckoff-position splitting schemes etc.). There are also software packages studying specific problems of solid-state physics, structural chemistry and crystallography. This article reports on the programs treating representations of point and space groups. There are tools for the construction of irreducible representations, for the study of the correlations between representations of group-subgroup pairs of space groups and for the decompositions of Kronecker products of representations.

PMID:
16489249
DOI:
10.1107/S0108767305040286

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