<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Prof. GIannozzi, thank you very much. It is really helpful to me.<br><br><div>--<br>GAO Zhe<br>CMC Lab, Materials Science &amp; Engineering Department,<br>Seoul National University, South Korea<br>        
&nbsp;</div><div id="divNeteaseMailCard"></div>At&nbsp;2012-01-07&nbsp;17:11:01,"Paolo&nbsp;Giannozzi"&nbsp;&lt;giannozz@democritos.it&gt;&nbsp;wrote:<br><pre>&gt;<br>&gt;On&nbsp;Jan&nbsp;7,&nbsp;2012,&nbsp;at&nbsp;2:35&nbsp;,&nbsp;GAO&nbsp;Zhe&nbsp;wrote:<br>&gt;<br>&gt;&gt;&nbsp;Is&nbsp;it&nbsp;possible&nbsp;to&nbsp;use&nbsp;conjugate&nbsp;gradient&nbsp;in&nbsp;ph.x&nbsp;?<br>&gt;<br>&gt;edit&nbsp;routine&nbsp;"set_defaults_pw.f90",&nbsp;change&nbsp;"isolve=0"&nbsp;to<br>&gt;"isolve=1",&nbsp;recompile<br>&gt;<br>&gt;P.<br>&gt;---<br>&gt;Paolo&nbsp;Giannozzi,&nbsp;Dept&nbsp;of&nbsp;Chemistry&amp;Physics&amp;Environment,<br>&gt;Univ.&nbsp;Udine,&nbsp;via&nbsp;delle&nbsp;Scienze&nbsp;208,&nbsp;33100&nbsp;Udine,&nbsp;Italy<br>&gt;Phone&nbsp;+39-0432-558216,&nbsp;fax&nbsp;+39-0432-558222<br>&gt;<br>&gt;<br>&gt;<br>&gt;<br>&gt;_______________________________________________<br>&gt;Pw_forum&nbsp;mailing&nbsp;list<br>&gt;Pw_forum@pwscf.org<br>&gt;http://www.democritos.it/mailman/listinfo/pw_forum<br></pre></div><br><br><span title="neteasefooter"><span id="netease_mail_footer"></span></span>