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<p>Hi,<br>
</p>
<p>I noticed in your dayfile your filenames and directory name are
inconsistent.<br>
</p>
<p>----------<br>
</p>
<p>case.dayfile is ;<br>
<br>
Calculating <b>U3O8-8.5-5000</b> in /scratch/WIEN2k17/<b>UB-8.5-5000</b><br>
on gra144 with PID 28448</p>
<p>...<br>
</p>
<p>----------</p>
<p>William<br>
</p>
<br>
<div class="moz-cite-prefix">Le 26/06/2018 à 21:29, shaymlal
dayananda a écrit :<br>
</div>
<blockquote type="cite"
cite="mid:447985146.1772815.1530041378486@mail.yahoo.com">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:16px">
<pre id="yui_3_16_0_1_1529975701570_34451">Dear Prof. Blaha
Thank you for your reply, I tried your instructions, but I am afraid that I am
still getting the same error.
This is what I did1. I copied case.energyup/dn as case.energyup_1/dn_12 copied
case.dmatup_old and case.dmatup_old to case.dmatup and case.dmatup3. removed
*.bro* ( But there were no files)
And rerun the job script. But again I got the same error I got before. I
noticed that now the energyup_1 file is empty again and case.enegydn_1 is
missing. </pre>
<pre id="yui_3_16_0_1_1529975701570_34452">I repeated this in fresh directory, but nothing changes. My lapw with spin
polarization runs without any problem. Only this hubard U inclusion gives
troubles. Can this be an issue with my job script (attached in the previous
reply) or installation?
Thank you and I appreciate your valuable advice and support.I am re-sending this mail since I didn't get any reply yet. My apology about that.
Daya</pre>
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</pre>
</blockquote>
<br>
<pre class="moz-signature" cols="72">--
William LAFARGUE-DIT-HAURET
PhD Student
--------------------------------------------------
Institut des Sciences Chimiques de Rennes UMR 6226
Equipe Chimie Théorique Inorganique
Université de Rennes 1 - Campus de Beaulieu
35042 Rennes, France
Building 10B, Desk 211
Phone: +33 (0)2.23.23.57.91
Email: <a class="moz-txt-link-abbreviated" href="mailto:william.lafargue-dit-hauret@univ-rennes1.fr">william.lafargue-dit-hauret@univ-rennes1.fr</a></pre>
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