Numerical calculations of the irreducible representations of space groups

1984 ◽  
Vol 35 ◽  
pp. C-304
Author(s):  
N. Neto
1984 ◽  
Vol 53 (1) ◽  
pp. 293-296 ◽  
Author(s):  
J. M. Perez Mato ◽  
G. Madariaga ◽  
M. J. Tello

2014 ◽  
Vol 70 (2) ◽  
pp. 126-137 ◽  
Author(s):  
Mois I. Aroyo ◽  
Danel Orobengoa ◽  
Gemma de la Flor ◽  
Emre S. Tasci ◽  
J. Manuel Perez-Mato ◽  
...  

The Brillouin-zone database of theBilbao Crystallographic Server(http://www.cryst.ehu.es) offersk-vector tables and figures which form the background of a classification of the irreducible representations of all 230 space groups. The symmetry properties of the wavevectors are described by the so-called reciprocal-space groups and this classification scheme is compared with the classification of Cracknellet al.[Kronecker Product Tables, Vol. 1,General Introduction and Tables of Irreducible Representations of Space Groups(1979). New York: IFI/Plenum]. The compilation provides a solution to the problems of uniqueness and completeness of space-group representations by specifying the independent parameter ranges of general and specialkvectors. Guides to thek-vector tables and figures explain the content and arrangement of the data. Recent improvements and modifications of the Brillouin-zone database, including new tables and figures for the trigonal, hexagonal and monoclinic space groups, are discussed in detail and illustrated by several examples.


1995 ◽  
Vol 50 (6) ◽  
pp. 577-583
Author(s):  
H. Teuscher ◽  
P. Kramer

Abstract Using a relation between representation theory of crystallographic space groups and a Dirichlet type of boundary problem for the Laplacian, we derive the solutions for the Dirichlet problem, as well as for a similar Neumann boundary problem, by a complete decomposition of plane waves into irreducible representations of a particular space group. This decomposition corresponds to a basis transformation in L2(Ω) and yields a new set of basis functions adapted to the symmetry of the lattice considered.


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