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, [email protected]

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

Linux

• ISOTROPY Software Suite for Linux:
  includes ISOTROPY, FINDSYM, SMODES, COMSUBS.

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