Journal of Applied Crystallography

Volume 36, Part 3 Number 2 (June 2003)

computer program abstracts


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J. Appl. Cryst. (2003). 36, 953-954    [ doi:10.1107/S0021889803003212 ]

SYMMODES: a software package for group-theoretical analysis of structural phase transitions

C. Capillas, E. Kroumova, M. I. Aroyo, J. M. Perez-Mato, H. T. Stokes and D. M. Hatch

Synopsis: For a given group-subgroup pair of space groups, SYMMODES constructs the graph of maximal subgroups relating the two groups and calculates the corresponding symmetry modes.

Keywords: phase transitions; space groups; group-subgroup graph; symmetry modes.

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