Journal of Applied Crystallography

Volume 39, Part 4 (August 2006)

computer programs

J. Appl. Cryst. (2006). 39, 607-614 [ doi:10.1107/S0021889806014075 ]

ISODISPLACE: a web-based tool for exploring structural distortions

B. J. Campbell, H. T. Stokes, D. E. Tanner and D. M. Hatch

Abstract: ISODISPLACE is a new internet-server tool for exploring structural phase transitions. Given parent-phase structural information, it generates atomic displacement patterns induced by irreducible representations of the parent space-group symmetry and allows a user to visualize and manipulate the amplitude of each distortion mode interactively. ISODISPLACE is freely accessible at http://stokes.byu.edu/isodisplace.html via common internet browsers.

Keywords: phase transitions; distortion mode; order parameter; irreducible representation; computer programs.