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<div class="moz-cite-prefix">Hi,<br>
your files look correct.<br>
Are you sure that you are running the programs in the correct
order (e.g. wannier right after nscf, without other calculations
like bands in-between)?<br>
<br>
Also, the error# 256 should be the # of kpoints in the nnkp file,
that is wrong (with your mesh it should be 64).<br>
Did you run wannier90.x -pp on the most recent file? If I do it on
your file, I get an nnkp with the correct # of kpoints (64).<br>
If so, could you also send the nnkp file you are using?<br>
<br>
Best,<br>
Giovanni<br>
<br>
<br>
On 10/21/2016 09:22 AM, Riemann Derakhshan wrote:<br>
</div>
<blockquote
cite="mid:CA+YmQb=zwDcF5_cUe5_E4FgrDXeG1YXFfGk5Mqv-6o=P7hP-VA@mail.gmail.com"
type="cite">
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<div dir="ltr"><span class="gmail-im" style="font-size:12.8px">
<p
style="font-size:12.8px;margin-bottom:0in;line-height:12.8px">Dear
Wannier90 Users and Developers<font style="font-size:9pt">Y,</font></p>
<div><br>
</div>
</span>
<div style="font-size:12.8px"><span style="font-size:12px">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"><span style="font-size:12px"><br>
</span></div>
<div style="font-size:12.8px"><span style="font-size:12px"> 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"><span style="font-size:12px"><br>
</span></div>
<div style="font-size:12.8px"><span style="font-size:12px">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span><wbr
style="font-size:12px"><span style="font-size:12px">%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</span><wbr
style="font-size:12px"><span style="font-size:12px">%%%%%%</span><br>
</div>
<div style="font-size:12.8px">
<div><span style="font-size:12px"> task # 0</span></div>
<div><span style="font-size:12px"> from pw2wannier90 :
error # 256</span></div>
<div><span style="font-size:12px"> Wrong number of
k-points</span></div>
<div><span style="font-size:12px"> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<wbr>%%%%%.</span></div>
</div>
<div style="font-size:12.8px"><span style="font-size:12px"><br>
</span></div>
<div style="font-size:12.8px">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"><br>
</div>
<div style="font-size:12.8px">K-points were created with kmesh
utility of Wannier90 package such as below:</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">./kmesh 8 8 1 ---->
for nscf input file </div>
<div style="font-size:12.8px">./kmesh 8 8 1 w ---->
for .win input file. </div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px"><span style="font-size:12.8px">I've
confused about this error and I haven't any idea to fix
that.</span><br>
</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">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"><br>
</div>
<div style="font-size:12.8px">Additionally, input files are
attached below for Your consideration.</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px"><br>
</div>
<div style="font-size:12.8px">Sincerely Yours</div>
<div style="font-size:12.8px">Riemann</div>
<div>
<div class="gmail_signature">
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<div>
<div dir="ltr">
<div>
<div dir="ltr"><font face="georgia, serif">-- <br>
PhD. student of Physics<br>
Physics Department of Damghan University <br>
Tel : +98 938 903 6759<br>
P.O.Box:36716-41167<br>
Damghan, Iran</font></div>
</div>
</div>
</div>
</div>
</div>
</div>
<br>
<br>
<br>
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<pre wrap="">_______________________________________________
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<br>
<p><br>
</p>
<pre class="moz-signature" cols="72">--
Giovanni Pizzi
EPFL STI IMX THEOS
MED2 1326
Station 9
CH-1015 Lausanne (Switzerland)
Phone: +41 21 69 31124</pre>
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