[Pw_forum] Point Group from phonon calculation
Izaak Williamson
izaakw89 at yahoo.com
Thu May 6 19:51:18 CEST 2010
After running the phonon calculation for ZnO at gamma point, the frequencies were displayed as:
**************************************************************************
Mode symmetry, C_3v (3m) point group:
omega( 1 - 1) = -26.3 [cm-1] --> A_1 L_1 I+R
omega( 2 - 3) = 101.8 [cm-1] --> E L_3 I+R
omega( 4 - 5) = 110.3 [cm-1] --> E L_3 I+R
omega( 6 - 6) = 253.3 [cm-1] --> A_1 L_1 I+R
omega( 7 - 7) = 379.8 [cm-1] --> A_1 L_1 I+R
omega( 8 - 9) = 398.5 [cm-1] --> E L_3 I+R
omega( 10 - 11) = 426.6 [cm-1] --> E L_3 I+R
omega( 12 - 12) = 540.6 [cm-1] --> A_1 L_1 I+R
**************************************************************************
I understand that A means the frequency is not degenerate and E means there is a degeneracy of 2. I just do not know what the L_1 and L_3 characters represent? Also, what does I+R mean?
Thanks,
Izaak Williamson
Physics Dept.
Boise State University
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