ISOTROPY Software Suite
Harold T. Stokes, Dorian M. Hatch, and Branton J. Campbell, Department of Physics and Astronomy, Brigham Young University, Provo, Utah 84606, USA, branton_campbell@byu.edu
Description: The ISOTROPY software suite is a collection of software which applies group theoretical methods to the analysis of phase transitions in crystalline solids.
How to cite: To cite a tool from the ISOTROPY Software Suite, see the citation instructions on the tool's individual home page. To cite the entire suite, use the following:
H. T. Stokes, D. M. Hatch, and B. J. Campbell, ISOTROPY Software Suite, iso.byu.edu.
References and Resources
Isotropy subgroups and distortions
- ISODISTORT: Explore and visualize distortions of crystalline structures. Possible distortions include atomic displacements, atomic ordering, strain, and magnetic moments.
- ISOSUBGROUP: Interactive program using user-friendly interface to list isotropy subgroups.
- ISOTROPY: Interactive program using command lines to explore isotropy subgroups and their associated distortions.
- ISOTILT: NEW! Interactive program for detecting cooperative rigid-unit modes (RUMs) in framework materials.
- SMODES: Find the displacement modes in a crystal which brings the dynamical matrix to block-diagonal form, with the smallest possible blocks.
- FROZSL: Calculate phonon frequencies and displacement modes using the method of frozen phonons.
- ISOVIZ: Stand-alone utility for viewing interactive distortions created by ISODISTORT (installers only, alpha version).
Space groups and irreducible representations
- ISOCIF: Create or modify CIF files.
- FINDSYM: Identify the space group of a crystal, given the positions of the atoms in a unit cell.
- ISOSPACEGROUP: NEW! Tables of crystallographic space groups: nonmagnetic and magnetic 3-dimensional space groups and (3+d)-dimensional superspace groups.
- ISO-IR: Tables of Irreducible Representations. The 2011 version of IR matrices.
- ISO-KOV: NEW! Mapping of the irreducible representations of Kovalev onto those of Cracknell, Davies, Miller and Love.
- ISO-MAG: Tables of magnetic space groups, both in human-readable and computer-readable forms.
Superspace Groups
- ISO(3+d)D: (3+d)-Dimensional Superspace Groups for d=1,2,3
- ISO(3+1)D: Isotropy Subgroups for Incommensurately Modulated Distortions in Crystalline Solids: A Complete List for One-Dimensional Modulations
- FINDSSG: Identify the superspace group symmetry given a list of symmetry operators.
- TRANSFORMSSG: Transform a superspace group to a new setting.
Phase Transitions
- COPL: Find a complete list of order parameters for a phase transition, given the space-group symmetries of the parent and subgroup phases.
- INVARIANTS: Generate invariant polynomials of the components of order parameters.
- COMSUBS: Find common subgroups of two structures in a reconstructive phase transition
Linux
- ISOTROPY Software Suite for Linux:
includes ISOTROPY, FINDSYM, SMODES, COMSUBS.
