Given a space group in ITA notation and selected
the Wyckoff positions for the atoms in a structure the program calculates the
symmetry adapted modes for gamma point and classifies them in IR or Raman
active modes. There is also avaliable information about the point group
such as character's table, irreps decomposition
and selection rules.
If you are using this program in the preparation of a paper, please cite it in the following form:
Kroumova et. al. Phase Transitions (2003), 76, Nos. 1-2, 155-170.
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IR and Raman Modes