<div dir="ltr"><div class="gmail_default" style="font-size:small">To know TO and LO modes, you have to <br></div><div class="gmail_default" style="font-size:small">specify the direction in k-space along which you want to see the splitting.<br><br>Also, see the post<br><a href="http://qe-forge.org/pipermail/pw_forum/2014-November/105682.html">http://qe-forge.org/pipermail/pw_forum/2014-November/105682.html</a><br><br></div><div class="gmail_default" style="font-size:small">bests,<br></div><div class="gmail_default" style="font-size:small">sonu<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Thu, Aug 24, 2017 at 2:58 PM, Uttam Paliwal <span dir="ltr"><<a href="mailto:uttamphy@gmail.com" target="_blank">uttamphy@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div><div>Dear QE users<br></div>I am computing phonon frequencies for BeS. I am attaching here the output file part<br><br><br><br>     q = (    0.000000000   0.000000000   0.000000000 ) <br><br> *****************************<wbr>******************************<wbr>***************<br>     freq (    1) =       0.105756 [THz] =       3.527650 [cm-1]<br>     freq (    2) =       0.105756 [THz] =       3.527650 [cm-1]<br>     freq (    3) =       0.105756 [THz] =       3.527650 [cm-1]<br>     freq (    4) =      16.460235 [THz] =     549.054328 [cm-1]<br>     freq (    5) =      16.460235 [THz] =     549.054328 [cm-1]<br>     freq (    6) =      16.460235 [THz] =     549.054328 [cm-1]<br> *****************************<wbr>******************************<wbr>***************<br><br>     Mode symmetry, T_d (-43m)  point group:<br><br>     freq (  1 -  3) =          3.5  [cm-1]   --> T_2  G_15 P_4   I+R<br>     freq (  4 -  6) =        549.1  [cm-1]   --> T_2  G_15 P_4   I+R<br><br><br>******************************<wbr>******************************<wbr>******************<br></div>these are TO (Transverse Optical) or LO (Longitudinal Optical), how to know. please suggest<br></div>
<br>______________________________<wbr>_________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/<wbr>listinfo/pw_forum</a><br></blockquote></div><br></div></div>