Structure IR Raman and Hyper-Raman Activity

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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	# Comments start with # # Space Group ITA number 167 # Lattice parameters 4.7597 4.7597 12.9935 90 90 120 # Number of independent atoms in the asymmetric unit 2 # [atom type] [number] [WP] [x] [y] [z] Al 1 12c 0.0000 0.0000 0.3523 O 1 18e 0.3065 0.0000 0.2500

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