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<div class="moz-cite-prefix">Did you run "initso_lapw" following the
instruction given by the users-guide before you started your
calculations? <br>
<br>
<br>
<br>
于 2014/4/9 14:14, 小红帽 写道:<br>
</div>
<blockquote cite="mid:tencent_6800A8F724A5EED3679E1417@qq.com"
type="cite">
<div>Dear WIEN2k,</div>
<div> I did the SO in my calculation, but there is an error :</div>
<div> Calculating CoS2 in /home/llh1/WIEN2k/CoS2</div>
<div class="MAIN">
<pre>on localhost.localdomain with PID 24045
using WIEN2k_11.1 (Release 14/6/2011) in /home/llh1/wien
start         (Wed Apr 9 10:39:34 CST 2014) with lapw0 (40/99 to go)
cycle 1         (Wed Apr 9 10:39:34 CST 2014)         (40/99 to go)
> lapw0         (10:39:34) 5.611u 0.101s 0:06.71 85.0%        0+0k 0+0io 0pf+0w
> lapw1 -up         (10:39:41) 4040.031u 48.070s 1:30:32.12 75.2%        0+0k 0+0io 0pf+0w
> lapw1 -dn         (12:10:13) 3980.955u 48.090s 1:34:28.69 71.0%        0+0k 0+0io 0pf+0w
> lapwso -up         (13:44:42) 0.132u 0.016s 0:00.36 38.8%        0+0k 0+0io 15pf+0w
error: command /home/llh1/wien/lapwso lapwso.def failed
> stop error
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But the error files is empty.I do not know what is wrong. Please
give me some hits. Thank you.<br>
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