TRANSFORMSSG

TRANSFORMSSG

Version 1.5.1, Oct 2022
Harold T. Stokes and Branton J. Campbell, Department of Physics and Astronomy, Brigham Young University, Provo, Utah, 84602, USA, branton_campbell@byu.edu
Sander van Smaalen, University of Bayreuth, Bayreuth, Germany, smash@uni-bayreuth.de

Description: Transform a superspace group to another setting.
Help, Version History

How to cite TRANSFORMSSG (cite each of the following):
H. T. Stokes, D. M. Hatch, and B. J. Campbell, TRANSFORMSSG, ISOTROPY Software Suite, iso.byu.edu.
H. T. Stokes, B. J. Campbell, and S. van Smaalen, "Generation of (3+d)-Dimensional Superspace Groups for Describing the Symmetry of Modulated Crystalline Structures." Acta Cryst. A, 67, 45-55 (2011).
S. van Smaalen, B. J. Campbell, and H. T. Stokes, "Equivalence of Superspace Groups," Acta Cryst. A, 69, 75-90 (2013).

Centering positions:

Symmetry operators:

magnetic

q vectors (optional):
q1 = a1* + a2* + a3*
q2 = a1* + a2* + a3*
q3 = a1* + a2* + a3*

New basis vectors of the reciprocal lattice:
a1*' = a1* + a2* + a3*
a2*' = a1* + a2* + a3*
a3*' = a1* + a2* + a3*

New q vectors:
q1' = q1 + q2 + q3 + a1* + a2* + a3*
q2' = q1 + q2 + q3 + a1* + a2* + a3*
q3' = q1 + q2 + q3 + a1* + a2* + a3*

Old superspace origin in new coordinate system (the "s" subscript in asi' indicates superspace rather than external-space basis vectors):
τ = as1' + as2' + as3' + as4' + as5' + as6'