<br>Now this problem is solved when I use latest vesion of CP2K (2010.4.23) , you can have a try ,too.<br><br>Thanks to  the CP2K team. <br> <br><br>                                                                                                       shanghui<br>
<br><br><br><font color="#888888">-- <br>PHD candidate<br>Division of Theoretical and Computational Sciences<br>Hefei National Laboratory for Physical Sciences at the Microscale<br>University of Science & Technology of  China<br>


Hefei, Anhui  230026, P.R.China<br><a href="http://shanghui-fuqiang.jimdo.com/" target="_blank">http://shanghui-fuqiang.jimdo.com/</a><br><a href="http://www.google.com/profiles/shanghui.ustc" target="_blank">http://www.google.com/profiles/shanghui.ustc</a>.</font><br>

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