Bilbao crystallographic server. II. Representations of crystallographic point groups and space groups

被引:825
作者
Aroyo, MI [1 ]
Kirov, A
Capillas, C
Perez-Mato, JM
Wondratschek, H
机构
[1] Univ Basque Country, Dept Fis Mat Condensada, E-48080 Bilbao, Spain
[2] Univ Sofia, Dept Condensed Matter Phys, BG-1486 Sofia, Bulgaria
[3] Univ Karlsruhe, Inst Kristallog, D-76128 Karlsruhe, Germany
来源
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES | 2006年 / 62卷
关键词
D O I
10.1107/S0108767305040286
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
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.
引用
收藏
页码:115 / 128
页数:14
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