Dear,
The mode symmetry can be found in the output file when doing the phonon
calculation in QE v4.2.1. Take the examples as follows:
Mode symmetry, O_h (m-3m) point group:
....
omega( 18 - 20) = 160.2 [cm-1] --> T_2u G_25 G_5-
omega( 21 - 23) = 184.8 [cm-1] --> T_1g G_15' G_4+
omega( 24 - 25) = 185.3 [cm-1] --> E_g G_12 G_3+ R
omega( 26 - 28) = 202.5 [cm-1] --> T_2g G_25' G_5+ R
omega( 29 - 30) = 217.7 [cm-1] --> E_u G_12' G_3-
omega( 31 - 33) = 271.5 [cm-1] --> T_1u G_15 G_4- I
omega( 34 - 34) = 296.2 [cm-1] --> A_2u G_2' G_2-
....
But why not output the mode symmetry in v5.0.3? (The "search_sym = true" is
set.)
Thanks for any response.
Sincerely yours,
W. Wang
Huaibei normal university
China
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