<div> 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># mode [cm-1] [THz] IR Raman depol<br> 1 0.00 0.0000 0.0000 0.0006 0.7500<br> 2 0.00 0.0000 0.0000 0.0006 0.7500<br> 3 0.00 0.0000 0.0000 0.0006 0.7500<br>
4 356.47 10.6866 5.4447 29.3043 0.7500<br> 5 356.47 10.6866 5.4447 29.3043 0.7500<br> 6 356.47 10.6866 5.4447 29.3043 0.7500<br>***************************************************************************************************</div>
<div>Do the column "IR" and "Raman" stand for the IR intensity and Raman intensity?</div>
<div>And what does depol stand for?<br> </div>
<div><span class="gmail_quote">2008/4/18, Eyvaz Isaev <<a href="mailto:eyvaz_isaev@yahoo.com">eyvaz_isaev@yahoo.com</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Hi,<br><br>> I have another question<br>about the alas.dynG.<br>> 1.Do omega 1, 2, 3<br>stand for the acoustic mode?<br>
<br>Yes,<br>of course.<br><br>> 2.How can I get the<br>Raman intensities?(the last but<br>> 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>><br>><br>**************************************************************************<br>><br> omega( 1) = 0.043635 [THz] =<br><br>> 1.455501 [cm-1]<br>> ( -0.499893<br>0.000000 0.432764 0.000000 -0.250591<br>
><br>0.000000 )<br>> ( -0.499920 0.000000 0.432787<br>0.000000 -0.250604<br>> 0.000000 )<br>><br> omega( 2) = 0.043635 [THz] =<br><br>> 1.455501 [cm-1]<br>> ( 0.189458<br>0.000000 -0.164016 0.000000 -0.661194<br>
><br>0.000000 )<br>> ( 0.189468 0.000000 -0.164025<br>0.000000 -0.661229<br>> 0.000000 )<br>><br> omega( 3) = 0.043635 [THz] =<br><br>> 1.455501 [cm-1]<br>> ( -0.462802<br>0.000000 -0.534591 0.000000 0.000000<br>
><br>0.000000 )<br>> ( -0.462827 0.000000 -0.534620<br>0.000000 0.000000<br>> 0.000000 )<br>><br> omega( 4) = 10.686462 [THz] =<br>><br>356.464369 [cm-1]<br>> ( -0.105298 0.000000<br>0.234486 0.000000 0.253351<br>
> 0.000000<br>)<br>> ( 0.272091 0.000000 -0.605913<br>0.000000 -0.654659<br>> 0.000000 )<br>><br> omega( 5) = 10.686462 [THz] =<br>><br>356.464369 [cm-1]<br>> ( 0.329240 0.000000<br>0.147848 0.000000 0.000000<br>
> 0.000000<br>)<br>> ( -0.850757 0.000000 -0.382040<br>0.000000 0.000000<br>> 0.000000 )<br>><br> omega( 6) = 10.686462 [THz] =<br>><br>356.464369 [cm-1]<br>> ( -0.103785 0.000000<br>0.231118 0.000000 -0.257044<br>
> 0.000000<br>)<br>> ( 0.268182 0.000000 -0.597208<br>0.000000 0.664201<br>> 0.000000 )<br>><br><br>><br>**************************************************************************<br>><br><br>><br>
> --<br>> Y. C.<br>Cheng<br>> Department of Phyics<br>><br>Nanjing University<br>> Nanjing<br>210093<br>> P. R. China<br>> Tel:<br>86-25-83592907<br>> Email:<br><a href="mailto:yccheng.nju@gmail.com">yccheng.nju@gmail.com</a><br>
> ><br>_______________________________________________<br>><br>Pw_forum mailing list<br>><br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
><br><br><br>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev,<br>Theoretical Physics Department, Moscow State Institute of Steel & 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> ____________________________________________________________________________________<br>
Be a better friend, newshound, and<br>know-it-all with Yahoo! Mobile. Try it now. <a href="http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ">http://mobile.yahoo.com/;_ylt=Ahu06i62sR8HDtDypao8Wcj9tAcJ</a><br>_______________________________________________<br>
Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></blockquote></div>
<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>