The program calculates the symmetry adapted modes for Γ point and classifies them in IR,
Raman and Hyper-Raman active modes.
There are two different ways to introduce the input of the program:
Only the default choice for the conventional setting of the space groups is used.
- OPTION A: Space group
- Space group number.
- The Wyckoff positions for the atoms in a structure (one have to select this in the
- OPTION B: Structure
- The structure in BCS format or in CIF file.
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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