Bilbao Crystallographic Server

References

Further developments ...

FURTHER DEVELOPMENTS OF THE BILBAO CRYSTALLOGRAPHIC SERVER
E. Kroumova, J.M. Pérez-Mato, S. Ivantchev, G. Madariaga, Departamentos de Física de la Materia Condensada y Física Aplicada II, Universidad del País Vasco, Apdo. 644, 48080 Bilbao, Spain, and M.I. Aroyo, A.K. Kirov, Condensed Matter Physics Dept, Sofia University, 1164 Sofia, Bulgaria, and H. Wondratschek, Institut für Kristallographie der Universität Karlsruhe, D-76128 Karlsruhe, Germany

The Bilbao Crystallographic Server ( http://www.cryst.ehu.es) has already been under use for more than a year [1]. The aim of this contribution is to report on the recent advances in the development of the server.
The main kernel contains a set of databases which include:

• data from the space-group tables of International Tables for Crystallography, vol. A,
• data from the subgroup tables of International Tables for Crystallography, vol. A1.

Recently, we have added a database of incommensurate structures with an interface which permits simple queries and input of new structures. In addition to the programs already reported [1], we have included a pseudosymmetry check program which detects for a given crystal structure any kind of crystallographic pseudosymmetry within a chosen tolerance factor [2]. We have also started the development of the shell on tools using representation theory of space groups. The server now offers access to

• the program KAREP for constructing little-group and full-group representations of space groups, and
• the program CORREL for investigating the correlations between irreducible representations of group-subgroup related space groups.

[1] E.Kroumova, J.M. Pérez-Mato, M.I. Aroyo, S. Ivantchev, G.Madariaga, H.Wondratschek, Materials structure - ECM-18 abstracts, A (1998); E. Kroumova, M.I.Aroyo, J.M. Pérez-Mato, J. Appl. Cryst. 31 (1998), 646
[2] Igartua J. M., Aroyo M.I. and Pérez-Mato J.M., Phys. Rev., B 54 (1996), 12744

Bilbao Crystallographic Server http://www.cryst.ehu.es

For comments, please mail to administrador.bcs@ehu.es