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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Check joint.err file for detail. I believe you do not have files: case.symmat1/2 or case.symmat(up/dn)1/2.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Just make empty file with these names and it works. Good luck!<o:p></o:p></span></p>
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<p class="MsoNormal"><b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> wien-bounces@zeus.theochem.tuwien.ac.at [mailto:wien-bounces@zeus.theochem.tuwien.ac.at]
<b>On Behalf Of </b>alpa dashora<br>
<b>Sent:</b> Monday, October 29, 2012 5:01 PM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Error in JOINT during optical property<o:p></o:p></span></p>
</div>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-bottom:12.0pt">Dear Prof. Blaha,<br>
<br>
I have run x lapw2 -fermi with TEMPS switch (in case.in2 file), because my system did not converge with TETRA switch.
<br>
<br>
After scf convergence, Can I change TEMPS to TETRA?<br>
<br>
<o:p></o:p></p>
<div>
<p class="MsoNormal">On Mon, Oct 29, 2012 at 2:24 PM, Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at" target="_blank">pblaha@theochem.tuwien.ac.at</a>> wrote:<o:p></o:p></p>
<p class="MsoNormal">Did you run x lapw2 -fermi (with TETRA switch) ???<br>
<br>
Am 29.10.2012 09:36, schrieb alpa dashora:<o:p></o:p></p>
<div>
<p class="MsoNormal">Dear Wien2k users,<br>
<br>
I am trying to calculate the optical properties of MoWS2 multilayer thin film. There is no error during scf and I have also computed DOS curves without any error.<o:p></o:p></p>
</div>
<p class="MsoNormal">In *joint *program, I received the following error message:<o:p></o:p></p>
<div>
<p class="MsoNormal" style="margin-bottom:12.0pt"><br>
<br>
opmat allocated with kkk,nbindex,ncol 14 78640 2 (<br>
2 MB)<br>
forrtl: severe (24): end-of-file during read, unit 4, file /root/WIEN2k_11/alpa/MoWS2_case2/MoWS2_case2.weight<br>
Image PC Routine Line Source<br>
joint 080C3D1F Unknown Unknown Unknown<br>
joint 080C333F Unknown Unknown Unknown<br>
joint 0808D4E2 Unknown Unknown Unknown<br>
joint 08066C6A Unknown Unknown Unknown<br>
joint 08066905 Unknown Unknown Unknown<br>
joint 08078367 Unknown Unknown Unknown<br>
joint 08053862 MAIN__ 425 joint.f<br>
joint 08049DF1 Unknown Unknown Unknown<br>
libc.so.6 002BEDEC Unknown Unknown Unknown<br>
joint 08049D31 Unknown Unknown Unknown<br>
1.872u 0.448s 0:02.32 99.5% 0+0k 0+0io 0pf+0w<br>
error: command /root/WIEN2k_11/joint joint.def failed<br>
<br>
Please suggest me how to solve this error.<br>
<br>
Thanks in advance.<br>
<br>
--<br>
Alpa Dashora<br>
<br>
<o:p></o:p></p>
</div>
<p class="MsoNormal" style="margin-bottom:12.0pt">_______________________________________________<br>
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<p class="MsoNormal"><span style="color:#888888"><br>
<span class="hoenzb">-- </span><br>
<br>
<span class="hoenzb"> P.Blaha</span><br>
<span class="hoenzb">--------------------------------------------------------------------------</span><br>
<span class="hoenzb">Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna</span><br>
<span class="hoenzb">Phone: +43-1-58801-165300 FAX: +43-1-58801-165982</span><br>
<span class="hoenzb">Email: <a href="mailto:blaha@theochem.tuwien.ac.at" target="_blank">
blaha@theochem.tuwien.ac.at</a> WWW: <a href="http://info.tuwien.ac.at/theochem/" target="_blank">
http://info.tuwien.ac.at/theochem/</a></span><br>
<span class="hoenzb">--------------------------------------------------------------------------</span><br>
<span class="hoenzb">_______________________________________________</span><br>
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</div>
<p class="MsoNormal"><br>
<br clear="all">
<br>
-- <br>
Alpa Dashora<o:p></o:p></p>
</div>
<br>
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