<div>&nbsp;&nbsp;&nbsp;&nbsp;Thank you for your reply!</div>
<div>I use the dynmat.x to calculate alas.dynG, and have some questions about the results.</div>
<div>***************************************************************************************************</div>
<div>#&nbsp; mode&nbsp;&nbsp; [cm-1]&nbsp;&nbsp;&nbsp;&nbsp; [THz]&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; IR&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; Raman&nbsp;&nbsp;&nbsp;&nbsp; depol<br>&nbsp;&nbsp;&nbsp; 1&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.00&nbsp;&nbsp;&nbsp; 0.0000&nbsp;&nbsp;&nbsp; 0.0000&nbsp;&nbsp;&nbsp;&nbsp; 0.0006&nbsp;&nbsp;&nbsp; 0.7500<br>&nbsp;&nbsp;&nbsp; 2&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.00&nbsp;&nbsp;&nbsp; 0.0000&nbsp;&nbsp;&nbsp; 0.0000&nbsp;&nbsp;&nbsp;&nbsp; 0.0006&nbsp;&nbsp;&nbsp; 0.7500<br>&nbsp;&nbsp;&nbsp; 3&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.00&nbsp;&nbsp;&nbsp; 0.0000&nbsp;&nbsp;&nbsp; 0.0000&nbsp;&nbsp;&nbsp;&nbsp; 0.0006&nbsp;&nbsp;&nbsp; 0.7500<br>
&nbsp;&nbsp;&nbsp; 4&nbsp;&nbsp;&nbsp; 356.47&nbsp;&nbsp; 10.6866&nbsp;&nbsp;&nbsp; 5.4447&nbsp;&nbsp;&nbsp; 29.3043&nbsp;&nbsp;&nbsp; 0.7500<br>&nbsp;&nbsp;&nbsp; 5&nbsp;&nbsp;&nbsp; 356.47&nbsp;&nbsp; 10.6866&nbsp;&nbsp;&nbsp; 5.4447&nbsp;&nbsp;&nbsp; 29.3043&nbsp;&nbsp;&nbsp; 0.7500<br>&nbsp;&nbsp;&nbsp; 6&nbsp;&nbsp;&nbsp; 356.47&nbsp;&nbsp; 10.6866&nbsp;&nbsp;&nbsp; 5.4447&nbsp;&nbsp;&nbsp; 29.3043&nbsp;&nbsp;&nbsp; 0.7500<br>***************************************************************************************************</div>

<div>Do the column &quot;IR&quot; and &quot;Raman&quot;&nbsp; stand for the IR intensity and Raman intensity?</div>
<div>And what does depol stand for?<br>&nbsp;</div>
<div><span class="gmail_quote">2008/4/18, Eyvaz Isaev &lt;<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>&gt;:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi,<br><br>&gt; I have another question<br>about the alas.dynG.<br>&gt; 1.Do omega 1, 2, 3<br>stand for the acoustic mode?<br>
<br>Yes,<br>of course.<br><br>&gt; 2.How can I get the<br>Raman intensities?(the last but<br>&gt; not the<br>least!)<br><br>As far as I remember you<br>should use dynmat.x to get such a kind<br>information.<br><br>Bests,<br>
Eyvaz.<br><br><br>&gt;<br>&gt;<br>**************************************************************************<br>&gt;<br>&nbsp;&nbsp;&nbsp;&nbsp;omega( 1) =&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.043635 [THz] =<br><br>&gt; 1.455501 [cm-1]<br>&gt;&nbsp;&nbsp;( -0.499893<br>0.000000&nbsp;&nbsp;0.432764&nbsp;&nbsp;0.000000 -0.250591<br>
&gt;<br>0.000000 )<br>&gt;&nbsp;&nbsp;( -0.499920&nbsp;&nbsp;0.000000&nbsp;&nbsp;0.432787<br>0.000000 -0.250604<br>&gt;&nbsp;&nbsp;0.000000 )<br>&gt;<br>&nbsp;&nbsp; omega( 2) =&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.043635 [THz] =<br><br>&gt; 1.455501 [cm-1]<br>&gt;&nbsp;&nbsp;(&nbsp;&nbsp;0.189458<br>0.000000 -0.164016&nbsp;&nbsp;0.000000 -0.661194<br>
&gt;<br>0.000000 )<br>&gt;&nbsp;&nbsp;(&nbsp;&nbsp;0.189468&nbsp;&nbsp;0.000000 -0.164025<br>0.000000 -0.661229<br>&gt;&nbsp;&nbsp;0.000000 )<br>&gt;<br>&nbsp;&nbsp; omega( 3) =&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 0.043635 [THz] =<br><br>&gt; 1.455501 [cm-1]<br>&gt;&nbsp;&nbsp;( -0.462802<br>0.000000 -0.534591&nbsp;&nbsp;0.000000&nbsp;&nbsp;0.000000<br>
&gt;<br>0.000000 )<br>&gt;&nbsp;&nbsp;( -0.462827&nbsp;&nbsp;0.000000 -0.534620<br>0.000000&nbsp;&nbsp;0.000000<br>&gt;&nbsp;&nbsp;0.000000 )<br>&gt;<br>&nbsp;&nbsp; omega( 4) =&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;10.686462 [THz] =<br>&gt;<br>356.464369 [cm-1]<br>&gt;&nbsp;&nbsp;( -0.105298&nbsp;&nbsp;0.000000<br>0.234486&nbsp;&nbsp;0.000000&nbsp;&nbsp;0.253351<br>
&gt;&nbsp;&nbsp;0.000000<br>)<br>&gt;&nbsp;&nbsp;(&nbsp;&nbsp;0.272091&nbsp;&nbsp;0.000000 -0.605913<br>0.000000 -0.654659<br>&gt;&nbsp;&nbsp;0.000000 )<br>&gt;<br>&nbsp;&nbsp;omega( 5) =&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;10.686462 [THz] =<br>&gt;<br>356.464369 [cm-1]<br>&gt;&nbsp;&nbsp;(&nbsp;&nbsp;0.329240&nbsp;&nbsp;0.000000<br>0.147848&nbsp;&nbsp;0.000000&nbsp;&nbsp;0.000000<br>
&gt;&nbsp;&nbsp;0.000000<br>)<br>&gt;&nbsp;&nbsp;( -0.850757&nbsp;&nbsp;0.000000 -0.382040<br>0.000000&nbsp;&nbsp;0.000000<br>&gt;&nbsp;&nbsp;0.000000 )<br>&gt;<br>&nbsp;&nbsp;omega( 6) =&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;10.686462 [THz] =<br>&gt;<br>356.464369 [cm-1]<br>&gt;&nbsp;&nbsp;( -0.103785&nbsp;&nbsp;0.000000<br>0.231118&nbsp;&nbsp;0.000000 -0.257044<br>
&gt;&nbsp;&nbsp;0.000000<br>)<br>&gt;&nbsp;&nbsp;(&nbsp;&nbsp;0.268182&nbsp;&nbsp;0.000000 -0.597208<br>0.000000&nbsp;&nbsp;0.664201<br>&gt;&nbsp;&nbsp;0.000000 )<br>&gt;<br><br>&gt;<br>**************************************************************************<br>&gt;<br><br>&gt;<br>
&gt; --<br>&gt; Y. C.<br>Cheng<br>&gt; Department of Phyics<br>&gt;<br>Nanjing University<br>&gt; Nanjing<br>210093<br>&gt; P. R. China<br>&gt; Tel:<br>86-25-83592907<br>&gt; Email:<br><a href="mailto:yccheng.nju@gmail.com">yccheng.nju@gmail.com</a><br>
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&gt;<br><br><br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev,<br>Theoretical Physics Department, Moscow State Institute of Steel &amp; Alloys, Russia,<br>IFM, Linkoping University, Sweden<br>
Condensed Matter Theory Group, Uppsala University, Sweden<br><a href="mailto:Eyvaz.Isaev@fysik.uu.se">Eyvaz.Isaev@fysik.uu.se</a>, <a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a><br><br><br>&nbsp;&nbsp;&nbsp;&nbsp; ____________________________________________________________________________________<br>
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<br><br clear="all"><br>-- <br>Y. C. Cheng<br>Department of Phyics<br>Nanjing University<br>Nanjing 210093<br>P. R. China<br>Tel: 86-25-83592907<br>Email: <a href="mailto:yccheng.nju@gmail.com">yccheng.nju@gmail.com</a>