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Inelastic Neutron Scattering Selection Rules


Neutron scattering Selection Rules
This program calculates systematic absences in inelastic neutron scattering spectra, due to the phonon symetry.

Input data :
  1. Space group number as given in ITA.
  2. 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).

  3. You may change the conventional basis of the group to another one by entering a transformation that relates two bases. The transformation, in general, consists of a linear part and an origin shift.
For more details click on help
[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.
Space Group number: Please, enter the sequential number of group as given in International Tables for Crystallography, Vol. A or choose it:

k vector data Reciprocal basis
Coordinates
kx ky kz
Label

  Optional: If you wish to change conventional (ITA) basis check this

Linear part
Origin shift


or


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