Have you ever employed acoustic sum rule ?<br>you can do a search on this topic over the forum archives.<br>PS, please supply your affiliation .<br><br><div class="gmail_quote">On Sat, Jun 14, 2008 at 2:57 AM, <<a href="mailto:xwzhang@uestc.edu.cn">xwzhang@uestc.edu.cn</a>> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><p>Dear my pwscf friends,</p>
<p>Recently, I am trying to do phonon calculations in Heusler. As a first step, I tried to reproduce the results of a paper by Zayak(PRB, 72, 054113, 2005). I choose Ni2MnGe as an example. To my surprise, the acoustic branches at Gamma point gives a frequency of about 1 THz, which should be zero. Other branches agree with the published data.</p>
<p>I wonder what might be the reason? I attached my scf, and phonon input files, and the phonon out put files. </p>
<p>I have another question about the output: What is the difference between the total magnetic moment and the absolute magnetic moment.</p>
<p>Thank you and wish you a happy weekend!</p>
<p>Wenxu Zhang</p><br>_______________________________________________<br>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a>