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

manchugh at iitk.ac.in manchugh at iitk.ac.in
Mon Jul 21 07:25:26 CEST 2014


Can you please attach your input and output files.
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> From: benyahia-nezha at hotmail.fr
> To: pw_forum at pwscf.org
> Subject: The  corresponding WZ mode of the Phonons frequencies obtained???
> Date: Wed, 16 Jul 2014 14:28:41 +0100
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> 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.
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-- 
Manjusha
Research Scholar
Department of Chemistry
Indian Institute of Technology,Kanpur
U.P., India 208016
SL-302
ph:+91-512-259 6539



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