[Pw_forum] search mode symmetry

wangwei wangweiphysics at 163.com
Thu Nov 30 04:52:16 CET 2017


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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