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Dear Riemann,
<div class="">Your nscf and win files look OK in terms of the number of k-points, so as long as you are doing everything in the right sequence then it should be OK. The output file of pw2wannier90 should tell you how many k-points it has from the electronic
structure calculation and how many it is expecting from Wannier90 (there will be line that gives the values of numk and iknum) and this might provide a further clue as to what is going on.</div>
<div class="">Best wishes,</div>
<div class="">Arash </div>
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<div class="">—</div>
<div class="">Arash Mostofi — <a href="http://www.mostofigroup.org" class="">www.mostofigroup.org</a></div>
<div class="">Director, CDT in Theory and Simulation of Materials</div>
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<div class="">Imperial College London</div>
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<blockquote type="cite" class="">
<div class="">On 21 Oct 2016, at 08:22, Riemann Derakhshan <<a href="mailto:riemann.derakhshan@gmail.com" class="">riemann.derakhshan@gmail.com</a>> wrote:</div>
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<div dir="ltr" class=""><span class="gmail-im" style="font-size:12.8px">
<p style="font-size:12.8px;margin-bottom:0in;line-height:12.8px" class="">Dear Wannier90 Users and Developers<font style="font-size:9pt" class="">Y,</font></p>
<div class=""><br class="">
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</span>
<div style="font-size:12.8px" class=""><span style="font-size:12px" class="">I want to do the Wannier calculations for silicene. I've modified the input files in example-10 for silicene. </span></div>
<div style="font-size:12.8px" class=""><span style="font-size:12px" class=""><br class="">
</span></div>
<div style="font-size:12.8px" class=""><span style="font-size:12px" class=""> SCF and NSCF part were done completely. But in running Pw2Wannier I've faced with this error :</span></div>
<div style="font-size:12.8px" class=""><span style="font-size:12px" class=""><br class="">
</span></div>
<div style="font-size:12.8px" class=""><span style="font-size:12px" class="">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span><wbr style="font-size:12px" class=""><span style="font-size:12px" class="">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span><wbr style="font-size:12px" class=""><span style="font-size:12px" class="">%%%%%%</span><br class="">
</div>
<div style="font-size:12.8px" class="">
<div class=""><span style="font-size:12px" class=""> task # 0</span></div>
<div class=""><span style="font-size:12px" class=""> from pw2wannier90 : error # 256</span></div>
<div class=""><span style="font-size:12px" class=""> Wrong number of k-points</span></div>
<div class=""><span style="font-size:12px" class=""> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr class="">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr class="">%%%%%.</span></div>
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<div style="font-size:12.8px" class=""><span style="font-size:12px" class=""><br class="">
</span></div>
<div style="font-size:12.8px" class="">Since I've created and put the same k-points in NSCF and .win input files with kmesh utility such as below: </div>
<div style="font-size:12.8px" class=""><br class="">
</div>
<div style="font-size:12.8px" class="">K-points were created with kmesh utility of Wannier90 package such as below:</div>
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<div style="font-size:12.8px" class="">./kmesh 8 8 1 ----> for nscf input file </div>
<div style="font-size:12.8px" class="">./kmesh 8 8 1 w ----> for .win input file. </div>
<div style="font-size:12.8px" class=""><br class="">
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<div style="font-size:12.8px" class=""><span style="font-size:12.8px" class="">I've confused about this error and I haven't any idea to fix that.</span><br class="">
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<div style="font-size:12.8px" class=""><br class="">
</div>
<div style="font-size:12.8px" class="">Would You do a favor by providing me a guidance which where I made mistake? It would be a great help and I'll appreciate it.</div>
<div style="font-size:12.8px" class=""><br class="">
</div>
<div style="font-size:12.8px" class="">Additionally, input files are attached below for Your consideration.</div>
<div style="font-size:12.8px" class=""><br class="">
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<div style="font-size:12.8px" class=""><br class="">
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<div style="font-size:12.8px" class="">Sincerely Yours</div>
<div style="font-size:12.8px" class="">Riemann</div>
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<div class="">
<div dir="ltr" class=""><font face="georgia, serif" class="">-- <br class="">
PhD. student of Physics<br class="">
Physics Department of Damghan University <br class="">
Tel : +98 938 903 6759<br class="">
P.O.Box:36716-41167<br class="">
Damghan, Iran</font></div>
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<span id="cid:AC6F4DDC-CF96-4BF5-8A99-205FAF1CC211@mt.ic.ac.uk"><sisilicon-scf.in></span><span id="cid:46191122-3F55-4F3A-8EAD-AF5A2E3759EF@mt.ic.ac.uk"><sisilicon-nscf.in></span><span id="cid:B586EA84-86D1-4A3C-A385-FB04FD08B5A7@mt.ic.ac.uk"><sisilicon.win></span><span id="cid:CEA6F5EC-EBE1-480C-B7C0-6EB6A611660E@mt.ic.ac.uk"><sisilicon.pw2wan></span>_______________________________________________<br class="">
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