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<div class="moz-cite-prefix">Hi,<br>
did you try setting<br>
<br>
<tt>use_ws_distance = True<br>
<br>
</tt>in the input file?<br>
<br>
The documentation/explanation is at page 89 (chapter 9) of the
Wannier90 user guide (user guide of version 2.1.0):<br>
<a moz-do-not-send="true"
href="http://www.wannier.org/doc/user_guide.pdf">http://www.wannier.org/doc/user_guide.pdf</a><br>
<br>
Giovanni<br>
<br>
-- <br class="">
<div class="">
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-webkit-text-size-adjust: auto; -webkit-text-stroke-width:
0px;">Giovanni Pizzi<br class="">
Theory and Simulation of Materials and MARVEL, EPFL<br
class="">
<a href="http://people.epfl.ch/giovanni.pizzi" class="">http://people.epfl.ch/giovanni.pizzi</a><br
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<a class="moz-txt-link-freetext" href="http://nccr-marvel.ch/en/people/profile/giovanni-pizzi">http://nccr-marvel.ch/en/people/profile/giovanni-pizzi</a></div>
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<br>
<br>
On 09/29/2017 09:07 AM, balabi wrote:<br>
</div>
<blockquote type="cite"
cite="mid:7E6E7223-C634-45BA-B360-C603B16D526C@qq.com%3E+6D433A6B580DC4B5">
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<div style="line-height: 23.8px;">Dear developers,</div>
<div style="line-height: 23.8px;"> I am using wannier90
2.1.0 , and testing example03 on silicon with projection
of sp3<br>
First I run <br>
wannier90.x silicon<br>
then I restart bands_plot on two equivalent path: </div>
<div style="line-height: 23.8px;"><br>
</div>
<div style="line-height: 23.8px;">1. </div>
<div style="line-height: 23.8px;">begin kpoint_path</div>
<div style="line-height: 23.8px;">L 0.50000 0.50000 0.5000
G 0.00000 0.00000 0.0000</div>
<div style="line-height: 23.8px;">G 0.00000 0.00000 0.0000
X 0.50000 0.00000 0.5000</div>
<div style="line-height: 23.8px;">end kpoint_path</div>
<div style="line-height: 23.8px;">this path is the same as
the example file, but only contains L G X point</div>
<div style="line-height: 23.8px;">and this is the
interpolated band structure : <a
href="https://pasteboard.co/GMzAHhS.png"
_src="https://pasteboard.co/GMzAHhS.png"
style="line-height: 1.7;" moz-do-not-send="true">https://pasteboard.co/GMzAHhS.png</a></div>
<div style="line-height: 23.8px;">This is almost the same is
the tutorial</div>
<div style="line-height: 23.8px;"><br>
</div>
<div style="line-height: 23.8px;">2. </div>
<div style="line-height: 23.8px;">
<div>Begin Kpoint_Path </div>
<div>L 0 0.5 0 gG 0 0 0 </div>
<div>gG 0 0 0 X 0 0.5 0.5 </div>
<div>End Kpoint_Path</div>
</div>
<div style="line-height: 23.8px;">this path should be
exactly equivalent to previous path. </div>
<div style="line-height: 23.8px;">But the interpolated band
structure is surprisely different from previous case: <a
href="https://pasteboard.co/GMzDTLT.png"
_src="https://pasteboard.co/GMzDTLT.png"
style="line-height: 1.7;" moz-do-not-send="true">https://pasteboard.co/GMzDTLT.png</a></div>
<div style="line-height: 23.8px;">Note the circled part is
quite different.</div>
<div style="line-height: 23.8px;"><br>
</div>
<div style="line-height: 23.8px;">What is wrong?</div>
<div style="line-height: 23.8px;"><br>
</div>
<div style="line-height: 23.8px;">best regards</div>
<div style="line-height: 23.8px;">balabi</div>
<div style="line-height: 23.8px;">Nanjing University, China</div>
<div style="line-height: 23.8px;"><br>
</div>
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