Raman and Hyper-Raman tensors for different orientation domains |
This program provides the Raman or Hyper-Raman tensors for the different
orientation domains.
Given the high and low symmetry structure and the transformation
matrix which relates them the program calculates which are going to be the
orientational (twin) domains and finally it gives the tensors for these
orientations.
If you do not know the transformation matrix you can use the program
STRUCTURE RELATIONS.
The program only accepts, as input data, structures described in a standard/default setting of the space group. If the original structure is described with respect to an ITA setting, the program SETSTRU can be used to transform it to the standard setting. In the case of more arbitrary non-conventional settings, the tool TRANSTRU can be of some help, if the transformation to the standard setting is known.
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