From: [email protected]
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
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://pwscf.org/pipermail/pw_forum/attachments/20140720/8c93268d/attachment.html
