<div>hi all :</div>
<div><font size="4">i am calculating the phonon at Q=0, my system is one-dimension , so strictly,there should be 4 zero-frequency. and my result is 0, 24, 31, 38cm-1, </font></div>
<div><font size="4">in order to get better result, i add the asr, and of course, the above 4 modes change to be 0cm-1, but another mode at high frequency,changes from 3002 to 2880cm-1,</font></div>
<div><font size="4"></font> </div>
<div><font size="4">the difference is big, </font><font color="#5c6a5c"><font face="Verdana"><font size="3"> and the pwscf forum give me some information :"if the dynamical matrix is diagonalized with program </font><tt>dynmat.x</tt><font face="Verdana"> imposing the ASR, <span class="MATH"><img height="17" alt="$ \omega$" src="http://www.pwscf.org/grafica/img4.png" width="17" align="bottom" border="0"></span> should go much closer to 0, with all other modes virtually unchanged"</font></font></font></div>
<div><font size="3"><font color="#5c6a5c"><font face="Verdana">so i am wondering, why the mode at 3002cm-1 has so much change ? </font></font></font><br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<font size="6"><br>
</font>China<br></div>