Bilbao Crystallographic Server

The program SUBGROUPS

Given a space group and a supercell, this program calculates all the posible space groups compatible with the supercell. The output of the program can be chosen to be the list of subgroups or a graph showing the subgroup-tree. In both cases the groups are grouped into conjugacy classes. More information about the conjugacy classes and the subgroups can be obtained: members of the conjugacy classes, transformation matrix to a standard or reference (default) setting of every group, lists of general positions, etc...

Alternative input data and optional filters for the output.

The program allows different input data sets and different conditions to be fulfilled by the subgroups given in the output. These are the alternative input/output conditions (ordered as in the main page of the program):

Alternative output.

If the option Representations has been chosen, the default output gives the subgroups compatible with all the chosen representations. Once this first output is shown, it is possible to get the subgroups compatible with at least one chosen irrep.


Bilbao Crystallographic Server
http://www.cryst.ehu.es
For comments, please mail to
cryst@wm.lc.ehu.es