<div>hi :</div>
<div>thank for lan haiping ,</div>
<div>and there is another problem present when i put *.o8888 (a out file produced by machine)to xcrysden ,the software ask me which to see,i choose the initial structure ,and it is OK ,but when i choose to havea look at the optimized and latest structure ,it gives error message :an error occurred while trying to update a structure;error reading /home/xyh/xcry_tmp/xc_8016/xc_structure8016
</div>
<div>so i do not know the reason and how to resolve it .if you could give me a piece of advice .i will be thankful.</div>
<div>bests <br><br> </div>
<div><span class="gmail_quote">2007/11/27, lan haiping <<a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>>:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Dear Yuehua,<br><br> xcrysden can read input/output of pwscf . you can achieve just by 'xcrysden --pwi (or -pwo)
pwscf.in(pwscf.out)' .<br>good luck<br><br>Regards.<br><br><br>
<div class="gmail_quote">
<div><span class="e" id="q_116800184df66759_1">On Nov 27, 2007 2:39 PM, xu yuehua < <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:njuxuyuehua@gmail.com" target="_blank">njuxuyuehua@gmail.com</a>
> wrote:<br></span></div>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0pt 0pt 0pt 0.8ex; BORDER-LEFT: rgb(204,204,204) 1px solid">
<div><span class="e" id="q_116800184df66759_3">
<div><br clear="all">hi all:</div>
<div>i relaxed a structure ,and want to see the details,and the XCrySDen can read the *xyz AND *XSF .SO HOW TO get the above file .my out file does not including the above .</div>
<div>thanks for your help. </div>
<div>bests<br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>China </div></span></div><br>_______________________________________________<br>Pw_forum mailing list<br><a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:Pw_forum@pwscf.org" target="_blank">
Pw_forum@pwscf.org</a><br><a onclick="return top.js.OpenExtLink(window,event,this)" href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum </a><br><br>
</blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:lanhaiping@gmail.com" target="_blank">
lanhaiping@gmail.com</a>, <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:hplan@pku.edu.cn" target="_blank">hplan@pku.edu.cn</a> <br>_______________________________________________<br>Pw_forum mailing list
<br><a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a onclick="return top.js.OpenExtLink(window,event,this)" href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">
http://www.democritos.it/mailman/listinfo/pw_forum</a><br><br></blockquote></div><br><br clear="all"><br>-- <br>Xu Yuehua<br>physics Department of Nanjing university<br>China