Information for Type of representation

general The representation is reduced to irreducible representations. If the reduction is not possible an error message is displayed.
3N This is a special option for molecular 3N (N: number of atoms) representations. In a first step the representation is reduced to irreducible representations. If the reduction is not possible an error message is displayed. In the next step the contributions for translations and rotations are removed. The calculated representation (= vib) is used to determine the symmetry properties of the molecular force field up to quartic force constants.
vib This is a special option for molecular vibrational representations. In a first step the representation is reduced to irreducible representations. If the reduction is not possible an error message is displayed. In the next step the symmetry properties of the molecular force field up to quartic force constants are determined.



Last update July, 12th 2007 by A. Gelessus