[Pw_forum] The corresponding WZ mode of the Phonons frequencies obtained???

BENYAHIA NEZHA benyahia-nezha at hotmail.fr
Wed Jul 16 15:28:41 CEST 2014


Dear quantum esspresso developers,
I have calculated phonon frequencies of the AlSb on the wurtzite structure at the G,K points of hight symmetry, i obtained these frequencies  at     G      0.00       0.00       0.00      47.02      47.02     151.73     310.79     310.79     316.32     319.33     328.36     335.35and k     81.04      83.45      89.83      90.68     129.95     138.88     294.87     299.38     300.65     302.13     305.12  316.96
My problem is that i dont know how to attribute these frequencies to their corresponding Wurtzite modes (A1(LO),E1(LO), A1(TO),E1(TO), E2h,,,,etc). To be more clear for example the frequency 328.36 corresponds to which mode????????I'll be you so grateful if you help. 
regardsNh Ben. 		 	   		  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20140716/453091e3/attachment.html>


More information about the users mailing list