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Site Symmetry


Site Symmetry Method
This program implements the so-called site-symmetry approach. The method establishes symmetry relations between the localized states (local atomic displacements) and crystal extended states (phonons, electrons, etc.) over the entire Brillouin zone.

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), 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).

[ Documentation of the program ]

Space Group Number: Please, enter the sequential number of group as given in International Tables for Crystallography, Vol. A or choose it:

Reciprocal basis

k-vector [ coordinates ]
kx ky kz
Label

or


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