<div>i try the asr='simple', and the high frequency is almost the same with the situation not add asr.</div>
<div>my system is quai-one-dimen , like nanotube ,why i can not add "one-dimen"<br><br></div>
<div class="gmail_quote">2008/10/23 Paolo Giannozzi <span dir="ltr"><<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>></span><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div class="Ih2E3d">xu yuehua wrote:<br><br>> yes, my system shoule have 3 translation and 1 rotational mode<br>> so i add ASR="one-dim.<br><br></div>then try ASR='simple'. If they differ, and if your system is<br>
along one of the cartesian axis, please provide the dynamical<br>matrix<br><br>Paolo<br><font color="#888888">--<br></font>
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<div class="Wj3C7c">Paolo Giannozzi, Democritos and University of Udine, Italy<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" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></div></div></blockquote></div><br><br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>
China<br>