Materials Laboratory at UPV/EHU

The program

Input Information

The procedure used to calculate all of the different supergroups uses the normalizers of both groups. The type of the normalizer you want to be used in the calculation have to be selected from the list. By default the Euclidean normalizers are used. If you want to use normalizer that is not Euclidean nor affine one, then you have to give the additional generators by yourself. To do that select 'user defined' as the type of the normalizer and before the calculation of the supergroups the program will ask you to give these additional generators.

The supergroup and the subgroup are specified by their numbers in the International Tables for Crystallography, vol.A. By now, for the space groups with more than one conventional setting only the default choice can be used.

If the supergroup is minimal than you can use the program MINSUP to obtain all of the minimal supergroups of a given space group, and select the one you are interested in. To to obtain all of the different supergroups of this type click on the button [ Supergroups ].

Starting from this data, the program obtains all of the transformation matrices that relate both groups with the specified index and calculates the different supergroups.

Output Information

• The transformation matrix relating the bases of the supergroup and the subgroup.
• One representative from each coset in the decomposition of the supergroup with respect to the subgroup.
• Link to the list with the full cosets for this decomposition.