The program Subgroups provides the possible subgroups of a space group which are possible for a given supercell. The program provides a list of the set of space groups or a graph showing the groupsubgroup hierarchy, grouped into conjugacy classes. More optional information about the classes or subgroups is also given.
Other alternatives for the input of the program:
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.
Instead of a supercell, a set of modulation wave vectors can be given, including complete or partial wavevectors stars.
The subgroups compatible with intermediate unit cells between the unit cell of the parent space group and the given supercell (or the supercell determined by the given wave vector(s) when the previous option is used) can be included.
When a set of wavevectors is used as input, the output can be further refined introducing the Wyckoff positions of the atoms and/or a set of irreducible representations.
Tutorial_SUBGROUPS: download

See the Help for details. 


