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The .kpf gives XCrySDen's general information format:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.xcrysden.org/doc/kpath.html">http://www.xcrysden.org/doc/kpath.html</a><br>
<br>
Do you need .pwscf?<br>
<br>
In XCrySDen 1.5.60:<br>
<br>
1. Clicked File -> Open PWscf... -> Open PWscf Output File<br>
2. Selected the nscf.out that you attached, then clicked OK<br>
3. Selected "do not reduce dimensionality", then clicked OK<br>
4. Clicked Continue<br>
5. Clicked Tools -> k-path Selection<br>
6. Clicked Close<br>
7. Selected k-path points, then clicked OK<br>
8. For "Total number of k-points along the path", put 300<br>
9. Clicked OK<br>
10. For "File name", used: test.pwscf<br>
11. Clicked Save, then clicked Close<br>
12. It gave the attached test.pwscf with 299 k-points<br>
<br>
<div class="moz-cite-prefix">On 5/22/2019 10:44 AM, Hud Wahab wrote:<br>
</div>
<blockquote type="cite"
cite="mid:dae80300-4471-48c6-9fab-aaf875653529@getmailbird.com">
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<div id="__MailbirdStyleContent" style="font-size:
10pt;font-family: Arial;color: #000000">Hello
<div><br>
</div>
<div>I am trying to run bandstructure experiment and need to
extract the k-path for bands.x.</div>
<div><br>
</div>
<div>I opened the output of nscf.out in xcrysden ( see attached
). Chose the k-path, input 300 number of points along the
k-path, and saved the file as xcrysden k-path file .kpf.
However, the output does not show 300 k-points (see attached).</div>
<div><br>
</div>
<div>How do I get that output? please advise</div>
<div><br>
</div>
<div>Cheers,</div>
<div><br>
</div>
<div>Hud</div>
<div><br>
</div>
<div>University of Wyoming</div>
<div>1000 E University Ave</div>
<div>Laramie, WY 82072</div>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:dae80300-4471-48c6-9fab-aaf875653529@getmailbird.com">
</blockquote>
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