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

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

doi:10.1107/S0021889803003212

Journal of Applied Crystallography Journal of Applied
Crystallography

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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

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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