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<div class="moz-cite-prefix">I don't see the case.struct attached
and all the input/output of init_lapw up to dstart. So I can only
guess that the error is likely caused by a problem with your
case.struct [1-3].<br>
<br>
[1]
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10795.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10795.html</a><br>
[2]
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12703.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg12703.html</a><br>
[3]
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07603.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07603.html</a><br>
<br>
On 5/2/2016 8:02 AM, shamik chakrabarti wrote:<br>
</div>
<blockquote
cite="mid:CAMqRRNa5B-UjRVCi10Fv26jCqBMzQ5uZfQe3urvP2XQpnGzEuw@mail.gmail.com"
type="cite">
<div dir="ltr">Dear wien2k users,
<div><br>
</div>
<div> I have tried to simulate force
optimization of a spinel cubic compound. Prior to this volume
optimization has been run & without getting any error.
However, while the volume optimized struct file (just changes
the lattice parameter to the newly optimized parameter &
kept every other things intact) was used in initilization,
during 'dstart' the following error appears,</div>
<div><br>
</div>
<div>
<p class="MsoNormal">forrtl: severe (24): end-of-file during
read, unit 81, file
/home/wien2k/Desktop/Wien_Computations/Aditya/MNT_f/MNT_f.rsp</p>
<p class="MsoNormal">Image
PC Routine Line
Source </p>
<p class="MsoNormal">dstart
0000000000456786 Unknown Unknown Unknown</p>
<p class="MsoNormal">dstart
000000000040F74E init_ 132 init.F</p>
<p class="MsoNormal">dstart
000000000040E4B1 MAIN__ 15 dstart.F</p>
<p class="MsoNormal">dstart
0000000000403A36 Unknown Unknown Unknown</p>
<p class="MsoNormal">libc.so.6
0000003FE5E1ED5D Unknown Unknown Unknown</p>
<p class="MsoNormal">dstart
0000000000403929 Unknown Unknown Unknown</p>
<p class="MsoNormal">0.006u 0.003s 0:00.04 0.0% 0+0k
0+32io 0pf+0w</p>
<p class="MsoNormal">error: command
/home/wien2k/Wien2k_5_7_2015/WIEN2k/dstart dstart.def
failed</p>
<p class="MsoNormal"><br>
</p>
<p class="MsoNormal">It appears that there is some problem in
case.rsp file. </p>
<p class="MsoNormal"><br>
</p>
<p class="MsoNormal">Any response in this regard is highly
appreciated.</p>
<p class="MsoNormal"><br>
</p>
<p class="MsoNormal">Thanks in advance.</p>
<p class="MsoNormal"><br>
</p>
<p class="MsoNormal">with regards,</p>
<div><br>
</div>
-- <br>
<div class="gmail_signature">
<div dir="ltr">
<div>
<div dir="ltr">
<div>Dr. Shamik Chakrabarti<br>
Research Associate</div>
<div><span style="font-size:12.8px">Electroceramics
Lab</span><br>
Dept. of Metallurgical & Materials Engineering<br>
IIT Kharagpur<br>
Kharagpur 721302<br>
INDIA</div>
</div>
</div>
</div>
</div>
</div>
</div>
</blockquote>
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