<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=gb2312">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Helvetica,sans-serif;" dir="ltr">
<p style="margin-top:0;margin-bottom:0"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">Dear Lorenzo and Paolo,</span></p>
<p style="margin-top:0;margin-bottom:0"><span style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap;"><br>
</span></p>
<p style="margin-top:0;margin-bottom:0"><span style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap;"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">Thanks for your quick reply, but I don't
know how to get </span><span style="color: rgb(33, 33, 33); font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">the modified "run_example" script.
</span></span><span style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap;"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">The input file of average.x
</span><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">is as follows:</span></span></p>
<p style="margin-top:0;margin-bottom:0"><br>
</p>
<p style="margin-top:0;margin-bottom:0"></p>
<div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">1</span></div>
<div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">Al100.pot</span></div>
<div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">1.D0</span></div>
<div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">1440</span></div>
<div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">3</span></div>
<div><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">3.835000000</span></div>
<br>
<p></p>
<p style="margin-top:0;margin-bottom:0"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">I just copy it from the </span><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">WorkFct-examples. </span></p>
<p style="margin-top:0;margin-bottom:0"><font face="Calibri, Helvetica, sans-serif, serif, EmojiFont"><br>
</font><span style="font-family: Calibri, Helvetica, sans-serif, serif, EmojiFont; font-size: 16px;"></p>
<pre style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap; overflow-wrap: break-word; margin-top: 0px; margin-bottom: 0px;"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;">Thanks in advance.
</span></pre>
<pre style="font-family: courier, "courier new", monospace; font-size: 14px; white-space: pre-wrap; overflow-wrap: break-word; margin-top: 0px; margin-bottom: 0px;"><span style="font-family: Calibri, Helvetica, sans-serif; font-size: 12pt;"><br></span></pre>
<div>Best regards,</div>
<div>Gao Yuxiang </div>
</span>
<p></p>
</div>
<hr style="display:inline-block;width:98%" tabindex="-1">
<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>发件人:</b> users <users-bounces@lists.quantum-espresso.org> 代表 Paolo Giannozzi <p.giannozzi@gmail.com><br>
<b>发送时间:</b> 2019年2月11日 18:04:25<br>
<b>收件人:</b> Quantum Espresso users Forum<br>
<b>主题:</b> Re: [QE-users] Error in Average.x</font>
<div> </div>
</div>
<div>
<div dir="ltr">
<div>If you provide the modified "run_example" script, maybe somebody may help you.</div>
<div><br>
</div>
<div>Paolo<br>
</div>
</div>
<br>
<div class="x_gmail_quote">
<div dir="ltr" class="x_gmail_attr">On Mon, Feb 11, 2019 at 6:28 AM GAO Yuxiang <<a href="mailto:yxgao6-c@my.cityu.edu.hk">yxgao6-c@my.cityu.edu.hk</a>> wrote:<br>
</div>
<blockquote class="x_gmail_quote" style="margin:0px 0px 0px 0.8ex; border-left:1px solid rgb(204,204,204); padding-left:1ex">
<div dir="ltr">
<div id="x_gmail-m_-3374311867186380584divtagdefaultwrapper" dir="ltr" style="font-size:12pt; color:rgb(0,0,0); font-family:Calibri,Helvetica,sans-serif">
<p style="margin-top:0px; margin-bottom:0px">Dear all,</p>
<p style="margin-top:0px; margin-bottom:0px"><br>
</p>
<p style="margin-top:0px; margin-bottom:0px">I'm trying to run the <span>WorkFct-examples by version 6.3, but average.x calculation returned an error</span></p>
<p style="margin-top:0px; margin-bottom:0px"><span></span></p>
<div> </div>
<div> task # 0</div>
<div> from average : error # 1</div>
<div> nfile is wrong </div>
<div><br>
</div>
I only changed <span>pseudo_dir and <span>outdir, pw.x and pp.x calculation were right. I don't know why I got this error, because I used same infile as the example. Could you please help me out? Thank you very much.</span></span>
<p></p>
<p style="margin-top:0px; margin-bottom:0px"><span><span><span><br>
</span></span></span></p>
<p style="margin-top:0px; margin-bottom:0px"><span><span><span>Best regards,</span></span></span></p>
<p style="margin-top:0px; margin-bottom:0px"><span><span><span>Gao Yuxiang</span></span></span></p>
</div>
</div>
_______________________________________________<br>
users mailing list<br>
<a href="mailto:users@lists.quantum-espresso.org" target="_blank">users@lists.quantum-espresso.org</a><br>
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" rel="noreferrer" target="_blank">https://lists.quantum-espresso.org/mailman/listinfo/users</a></blockquote>
</div>
<br clear="all">
<br>
-- <br>
<div dir="ltr" class="x_gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
<br>
</div>
</div>
</div>
</div>
</div>
</div>
</body>
</html>