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 :
-
Layer group number as given in ITE.
- 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).
|
If you are using this program in the preparation of an article, please cite it in the following form: |
G. de la Flor, D. Orobengoa, R. A. Evarestov, Y. Kitaev, E. Tasci and M. I. Aroyo "The site-symmetry induced representations of layer groups on the Bilbao Crystallographic Server". J. Appl. Cryst (2019) 52, 1214-1221 |
If you are interested in other publications related to Bilbao Crystallographic Server, click here |
|
|