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.
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
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