The program kSubgroupsmag provides the possible magnetic subgroups of the space group of a paramagnetic phase (gray group) which are possible for a magnetic ordering having a known propagation vector. The program provides the set of magnetic subgroups or a graph showing the subgrouptree (grouped into conjugacy classes). In both cases, more information about the classes or subgroups can be obtained.
Other alternatives for the input of the program:
An alternative parent (non gray) magnetic group can be chosen.
Instead of the whole set of subgroups, the output can be limited to subgroups having a chosen common subgroup of lowest symmetry, common point group of lowest symmetry, or groups which belong to a specific crystal class.
Further restrictions on the subgroup list/graph considering physical properties can be used: it is possible to ask for only centrosymmetric or noncentrosymmetri groups, polar or nonpolar groups.
More than one propagation wavevector can be chosen.
The whole (or partial) stars of vectors can be introduced.
Non magnetic modulation wavevectors can be also introduced.
Instead of propagation wavevectors, a supercell can be given. In this case, all subgroups with their lattice defined by the supercell are given, including the gray ones.
It is possible to ask for a list/graph of subgroups compatible with the intermediate cells between the unit cell of the parent space group and the supercell determined by the given wave vector(s) (or the given supercell when the previous option is used).
The output can be further refined introducing the Wyckoff positions of the magnetic atoms (and the positions of the nonmagnetic atoms for nonmagnetic distortions) and/or a set of irreducible representations.
Tutorial: download
You can find examples of application of this program in:
PerezMato, JM; Gallego, SV; Elcoro, L; Tasci, E and Aroyo, MI J. of Phys.: Condens Matter (2016), 28:28601
and in:
J.M. PerezMato, S.V. Gallego, E.S. Tasci, L. Elcoro, G. de la Flor, and M.I. Aroyo Annu. Rev. Mater. Res. (2015), 45:13.113.32


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