Bilbao Crystallographic Server => Structure IR Raman and Hyper-Raman Activity Help


IR Raman and Hyper-Raman Modes


Symmetry Adapted Modes
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:
  • OPTION A: Space group

    • Space group number.
    • The Wyckoff positions for the atoms in a structure (one have to select this in the next form).


  • 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.

If you are interested in other publications related to Bilbao Crystallographic Server, click here

OPTION 1: Space group

Enter the sequential number of group as given in International Tables for Crystallography, Vol. A or choose it:


OPTION 2: Structure

Structure Data
[in CIF format]

HINT: [ The option for a given filename is preferential ]
Structure




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