<div dir="ltr"><div><div>Dear Dr. Paulatto,<br></div>Thank you very much for your reply.<br><br></div><font color="#888888"><div>Mihiri Hewa Bosthanthirige,</div><div><div style="color:rgb(136,136,136);font-size:12.8px"><span style="color:rgb(153,153,153)">PhD Candidate<br></span></div><div style="color:rgb(136,136,136);font-size:12.8px"><span style="color:rgb(153,153,153)">Department of Physics & Astronomy<br></span></div><span style="font-size:12.8px;color:rgb(153,153,153)">Clemson University.</span></div></font><div class="gmail_extra"><br><div class="gmail_quote">On Sat, May 13, 2017 at 9:08 AM, Lorenzo Paulatto <span dir="ltr"><<a target="_blank" href="mailto:lorenzo.paulatto@impmc.upmc.fr">lorenzo.paulatto@impmc.upmc.fr</a>></span> wrote:<br><blockquote style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex" class="gmail_quote"><u></u>
<div style="font-family:"open sans";font-size:9pt;font-weight:400;font-style:normal"><span class="gmail-">
<p style="margin:0px;text-indent:0px">On Friday, 12 May 2017 23:44:33 CEST Mihiri Hewa bosthanthirige wrote:</p>
<p style="margin:0px;text-indent:0px">> Hi,</p>
<p style="margin:0px;text-indent:0px">> I am graduate student at Clemson university, currently working with Quantum</p>
<p style="margin:0px;text-indent:0px">> Espresso. I would like to know how to determine the symmetry of a given</p>
<p style="margin:0px;text-indent:0px">> phonon mode in quantum espresso.</p>
<p style="margin:0px;text-indent:0px"> </p>
</span><p style="margin:0px;text-indent:0px">Hello,</p>
<p style="margin:0px;text-indent:0px">it is printed in the output of phonon at the end of the calculation, i.e.:</p>
<p style="margin:0px;text-indent:0px">...</p>
<p style="margin:0px;text-indent:0px"><span style="font-family:"monospace";color:rgb(0,0,0);background-color:rgb(255,255,255)"> End of self-consistent calculation </span><span style="font-family:"monospace""><br><br> Convergence has been achieved <br><br> Number of q in the star = 1 <br> List of q in the star: <br> 1 0.000000000 0.000000000 0.000000000 <br><br> Diagonalizing the dynamical matrix <br><br> q = ( 0.000000000 0.000000000 0.000000000 ) <br><br>******************************<wbr>******************************<wbr>************** <br> freq ( 1) = 0.288469 [THz] = 9.622291 [cm-1] <br> freq ( 2) = 1.229279 [THz] = 41.004338 [cm-1] <br> freq ( 3) = 1.229279 [THz] = 41.004338 [cm-1] <br> freq ( 4) = 9.638619 [THz] = 321.509736 [cm-1] <br> freq ( 5) = 9.638619 [THz] = 321.509736 [cm-1] <br> freq ( 6) = 11.086492 [THz] = 369.805576 [cm-1] <br> freq ( 7) = 16.205929 [THz] = 540.571591 [cm-1] <br> freq ( 8) = 16.205929 [THz] = 540.571591 [cm-1] <br> freq ( 9) = 20.409359 [THz] = 680.782953 [cm-1] <br>******************************<wbr>******************************<wbr>************** <br><br> Mode symmetry, D_6h(6/mmm) point group: <br><br> freq ( 1 - 1) = 9.6 [cm-1] --> A_2u I <br> freq ( 2 - 3) = 41.0 [cm-1] --> E_1u I <br> freq ( 4 - 5) = 321.5 [cm-1] --> E_1u I <br> freq ( 6 - 6) = 369.8 [cm-1] --> A_2u I <br> freq ( 7 - 8) = 540.6 [cm-1] --> E_2g R <br> freq ( 9 - 9) = 680.8 [cm-1] --> B_1g<br><br></span></p>
<p style="margin:0px;text-indent:0px"> </p>
<p style="margin:0px;text-indent:0px">-- </p>
<p style="margin:0px;text-indent:0px">Dr. Lorenzo Paulatto</p>
<p style="margin:0px;text-indent:0px">IdR @ IMPMC -- CNRS & Université Paris 6</p>
<p style="margin:0px;text-indent:0px">+33 (0)1 44 275 084 / skype: paulatz</p>
<p style="margin:0px;text-indent:0px"><a target="_blank" href="http://www.impmc.upmc.fr/%7Epaulatto/">http://www.impmc.upmc.fr/~<wbr>paulatto/</a></p>
<p style="margin:0px;text-indent:0px">23-24/4é16 Boîte courrier 115, </p>
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