<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, Sans-Serif;font-size:16px"><div id="yui_3_16_0_ym19_1_1461237753595_13578"><div id="yui_3_16_0_ym19_1_1461237753595_13605">Dear Arrigo Calzolari<br id="yui_3_16_0_ym19_1_1461237753595_13606" clear="none"></div><div id="yui_3_16_0_ym19_1_1461237753595_13607" dir="ltr">I tried to calculate at Gamma point and I am getting as follows</div><div id="yui_3_16_0_ym19_1_1461237753595_13608" dir="ltr"><div><br></div><div id="yui_3_16_0_ym19_1_1461237753595_13805">Mode Symmetry, C_3V (3m) point group:</div></div><div id="yui_3_16_0_ym19_1_1461237753595_13609" dir="ltr">freq (1 - 1) = 2.5 [cm-1] A_1 L_1 I + R</div><div id="yui_3_16_0_ym19_1_1461237753595_13610" dir="ltr">freq (2 - 3 ) = 10.4 [cm-1] E L_3 I+R</div><div id="yui_3_16_0_ym19_1_1461237753595_13611" dir="ltr">freq (4 - 4) = 347.1 [cm-1] A_1 L_1 I+R</div><div id="yui_3_16_0_ym19_1_1461237753595_13612" dir="ltr">freq (5 - 6 ) = 349.1 [cm-1] E L_3 I + R<br id="yui_3_16_0_ym19_1_1461237753595_13613" clear="none"></div><div id="yui_3_16_0_ym19_1_1461237753595_13614"><div id="yui_3_16_0_ym19_1_1461237753595_13646"><br></div><div id="yui_3_16_0_ym19_1_1461237753595_13806">I wish to determine LO and TO frequencies</div><div dir="ltr" id="yui_3_16_0_ym19_1_1461237753595_13654">I understand that A means singly degenerate and E doubly degenerate, I and R for Infrared and Raman active<br></div><span id="yui_3_16_0_ym19_1_1461237753595_13616"></span></div><div id="yui_3_16_0_ym19_1_1461237753595_13617"><div id="yui_3_16_0_ym19_1_1461237753595_13807"><span id="yui_3_16_0_ym19_1_1461237753595_13618"><br></span></div><div id="yui_3_16_0_ym19_1_1461237753595_13808"><span id="yui_3_16_0_ym19_1_1461237753595_13618">How can i interpret in terms of Eg(LO), Eg(TO), Eu(LO), Eu(TO), A1g, A2u ........</span></div></div><div id="yui_3_16_0_ym19_1_1461237753595_13638" dir="ltr">Which version of QE should i use to get output in this format ?<br></div><div id="yui_3_16_0_ym19_1_1461237753595_13700" dir="ltr">Best Wishes </div></div><div id="yui_3_16_0_ym19_1_1461237753595_13569" class="signature"><div id="yui_3_16_0_ym19_1_1461237753595_13577">--------------------------------------------------------------------- <br><br><strong id="yui_3_16_0_ym19_1_1461237753595_13576"><font id="yui_3_16_0_ym19_1_1461237753595_13575" color="#0000ff" size="4">Dr. Sohail Ahmad</font></strong></div><font id="yui_3_16_0_ym19_1_1461237753595_13567" color="#0000ff">King Khalid University</font><div id="yui_3_16_0_ym19_1_1461237753595_13707"><font color="#0000ff">Abha, Saudi Arabia</font></div><div id="yui_3_16_0_ym19_1_1461237753595_13709"> --------------------------------------------------------------------<br></div></div></div></body></html>