[Pw_forum] phonon output

[Sohail Ahmad]

Dear Arrigo Calzolari
I tried to calculate at Gamma point and I am getting as follows
Mode Symmetry, C_3V (3m) point group:freq (1 - 1) =     2.5  [cm-1]        A_1     L_1         I + Rfreq (2 - 3 ) =   10.4 [cm-1]        E         L_3          I+Rfreq (4 - 4)  =   347.1 [cm-1]      A_1    L_1          I+Rfreq (5 - 6 ) =   349.1 [cm-1]      E         L_3          I + R

I wish to determine LO and TO frequenciesI understand that A means singly degenerate and E doubly degenerate, I and R for Infrared and Raman active

How can i interpret in terms of Eg(LO),  Eg(TO), Eu(LO), Eu(TO), A1g, A2u ........Which version of QE should i use to get output in this format ?
Best Wishes --------------------------------------------------------------------- 

Dr. Sohail AhmadKing Khalid UniversityAbha, Saudi Arabia --------------------------------------------------------------------
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