Automatic calculation of symmetry-adapted tensors under spin-group symmetry: STENSOR, a new tool of the Bilbao Crystallographic Server

Elcoro, L.; Etxebarria, J.; Perez-Mato, J.M.; Tasci, E.S.

doi:10.1107/S1600576726000944

Journal of Applied Crystallography Journal of Applied
Crystallography

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Figure 1
Flowchart of STENSOR. Apart from the Jahn symbol of the tensor that must be introduced in all cases, the input parameters (green color) are split into two different options. Whereas Option A needs just a scif or mcif file, in Option B the following parameters are required: (1) the generators of the nontrivial SpPG, (2) the type of spin ordering (collinear, coplanar, non-coplanar), (3) the direction of spins (collinear option) or the direction perpendicular to the plane of spins (coplanar option), and (4) the matrix that relates the basis in the spin space $[({\bf a}_{\rm s},{\bf b}_{\rm s},{\bf c}_{\rm s})]$ and the basis of the lattice $[({\bf a},{\bf b},{\bf c})]$ . If this last matrix is not explicitly given the program assumes that it is the identity. The output of the program (blue color) gives (1) the identification of the MPG, (2) the reduced form of the tensor allowed by the MPG and (3) the reduced form of the tensor allowed by the SpPG.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 2| April 2026| Pages 640-647

https://doi.org/10.1107/S1600576726000944

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