<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 12pt;
font-family:Calibri
}
--></style></head>
<body class='hmmessage'><div dir='ltr'><br><br><div><hr id="stopSpelling">From: benyahia-nezha@hotmail.fr<br>To: pw_forum@pwscf.org<br>Subject: FW: The corresponding WZ mode of the Phonons frequencies obtained???<br>Date: Sun, 20 Jul 2014 23:24:27 +0100<br><br>
<style><!--
.ExternalClass .ecxhmmessage P {
padding:0px;
}
.ExternalClass body.ecxhmmessage {
font-size:12pt;
font-family:Calibri;
}
--></style>
<div dir="ltr"><br><br><div><hr id="ecxstopSpelling">From: benyahia-nezha@hotmail.fr<br>To: pw_forum@pwscf.org<br>Subject: The corresponding WZ mode of the Phonons frequencies obtained???<br>Date: Wed, 16 Jul 2014 14:28:41 +0100<br><br>
<style><!--
.ExternalClass .ecxhmmessage P {
padding:0px;
}
.ExternalClass body.ecxhmmessage {
font-size:12pt;
font-family:Calibri;
}
--></style>
<div dir="ltr"><div><br></div><div>Dear quantum esspresso developers,</div><div><br></div><div>I have calculated phonon frequencies of the AlSb on the wurtzite structure at the G,K points of hight symmetry, i obtained these frequencies </div><div> </div><div>at G 0.00 0.00 0.00 47.02 47.02 151.73 310.79 310.79 316.32 319.33 328.36 335.35</div><div>and 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</div><div><br></div><div>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????????</div><div>I'll be you so grateful if you help. </div><div><br></div><div>regards</div><div>Nh Ben.</div> </div></div> </div></div> </div></body>
</html>