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<div><span>Dear William<p><br></p><p>Thank you. The calculation is running now. Hope it will finish smoothly</p><p><br></p><p>Is
there a way to set this vector files to generate in the proper place
instead of in the working directory? (Or to set DOS to get the files
from working directory?)</p></span><div><span><span id="ydp134c3cfms-rterangecursor-end"></span></span>Thank you again for the prompt reply</div><div><br></div><div>Prasad<br></div></div><div><br></div>
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On Tuesday, July 31, 2018, 12:01:33 p.m. CST, William Lafargue-dit-Hauret <william.lafargue-dit-hauret@univ-rennes1.fr> wrote:
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<p>Dear Prasad,</p>
<p>case.vectorup/dn must be present in the scratch directory, not in
the working directory.</p>
<p>Best,</p>
<p>William<br clear="none">
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<div class="yiv1148670598moz-cite-prefix">Le 31/07/2018 à 19:55, prasad jayasena
a écrit :<br clear="none">
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<div>Dear developers and users</div>
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<div>I am using wien2k 17.1 version. I recently completed scf
calculation without any error (<span>runsp_lapw -p -i 140 -ec
0.00001 -cc 0.0001 -NI)</span>. <br clear="none">
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<div>Now I tried calculation of DOS. But when I try <span><b>x
lapw2 -p -up -qtl </b></span>I am getting the following
error.</div>
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</span><pre>running in single mode
forrtl: severe (24): end-of-file during read, unit 10, file /home/scratch/UB-8.5-5000-SCF.vectorup
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<div>However, in the working directory, there are two
none-empty case. vectorup and case.vectordn files. I cannot
solve this error. The other thing is, if I did parallel mode
scf calculation I believe it needs to create several
vectorup/dn_x files. But here it is a single file. <br clear="none">
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<div>Can someone please let me know what is wrong here.</div>
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<div>Thank you</div>
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<div>Prasad<br clear="none">
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<pre class="yiv1148670598moz-signature">--
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 rel="nofollow" shape="rect" class="yiv1148670598moz-txt-link-abbreviated" ymailto="mailto:william.lafargue-dit-hauret@univ-rennes1.fr" target="_blank" href="mailto:william.lafargue-dit-hauret@univ-rennes1.fr">william.lafargue-dit-hauret@univ-rennes1.fr</a></pre>
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