Computing with Crystallographic Groups
نویسنده
چکیده
Algorithms are presented for the computation with crystallographic groups of arbitrary dimension, in particular for the determination of the Wyckoff positions and maximal subgroups of a space group, and for the determination of all space group types for a given point group. These algorithms have been implemented in the computer algebra system GAP, and are made publically available. The capabilities of this software package are illustrated by a number of examples.
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