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Space group representations and correlations
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Space group irreps are labeled by
k-vector star and corresponding
little group representation number. This program
calculates how does given irreducible represenation
of a supergroup (which is in general reducible for
the subgroups of that supergroup) splits into
irreducible constituents in the subgroup.
Input data :
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Supergroup number as given in ITA.
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Subgroup number as given in ITA.
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Transformation that relates the conventional
bases of the sub- and supergroups. The
transformation, in general, consists of a
linear part and an origin shift.
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k-vector data :
- Reciprocal lattice basis type, which may be
primitive (as in Cracknell-Davies-Miller-Love
tables [1]) or dual to the conventional (ITA).
- k-vector coordinates
relative to chosen basis as any three decimal
numbers or fractions.
- Label of the k-vector (up
to three letters).
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The program can also calculate the matrix that
performs the reduction of the representation.
If you wish to see it - put a mark at the
corresponding field.
[1] Cracknell, A. P., Davies, B. L., Miller, S. C.,
and Love, W. F. (1979). Kronecker Product Tables.
Vol. 1. General Introduction and Tables of Irreducible Representations of Space Groups. New York: IFI/Plenum.
If you are using this program in the preparation of a paper, please cite it in the following form:
M. I. Aroyo, A. Kirov, C. Capillas, J. M. Perez-Mato & H. Wondratschek."Bilbao Crystallographic Server II: Representations of crystallographic point groups and space groups". Acta Cryst. A62, 115-128 (2006).
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CORREL
