<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=us-ascii">
</head>
<body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">
The problem is related to different segments in the BZ not being the same length but all are divided into 50 points according to your input. The issue can be resolved if you divide the segments according to almost their lengths. So if G-M is twice longer than
M-L, then divide the first by 50 and the second by 25.
<div class=""><br class="">
</div>
<div class="">Cheers,</div>
<div class="">Vahid</div>
<div class=""><br class="">
</div>
<div class="">Vahid Askarpour<br class="">
Department of physics and atmospheric science<br class="">
Dalhousie University<br class="">
Halifax, NS<br class="">
CANADA<br class="">
<div><br class="">
<blockquote type="cite" class="">
<div class="">On Jan 24, 2022, at 1:25 PM, Aleksandra Oranskaia <<a href="mailto:aleksandra.oranskaia@kaust.edu.sa" class="">aleksandra.oranskaia@kaust.edu.sa</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
<div class=""><!-- START CAUTION Box Code -->
<table align="center" border="0" cellpadding="0" cellspacing="0" style="padding:10px 0 10px 0" width="100%" class="">
<tbody class="">
<tr class="">
<td style="line-height:0px;font-size:0px;mso-line-height-rule:exactly;" class="">
<table align="center" border="0" cellpadding="0" cellspacing="0" style="background:#707372;background-color:#707372;width:100%;border-radius:5px;overflow:hidden;" class="">
<tbody class="">
<tr class="">
<td style="border-top:solid 8px #fbe122;padding:4px 8px;text-align:left;vertical-align:top;" class="">
<table role="presentation" border="0" cellpadding="0" cellspacing="0" class="">
<tbody class="">
<tr class="">
<td align="left" class="">
<div style="font-family:Arial,sans-serif;font-size:12px;line-height:16px;text-align:left;color:#ffffff;" class="">
<span style="font-weight:bold;font-size:12px;" class="">CAUTION:</span> The Sender of this email is not from within Dalhousie.</div>
</td>
</tr>
</tbody>
</table>
</td>
</tr>
</tbody>
</table>
</td>
</tr>
</tbody>
</table>
<!-- END CAUTION Box Code -->
<div class="">
<div dir="ltr" class="">
<div class="">Hi!</div>
<div class=""><br class="">
</div>
<div class="">I see some weirdness that would highly appreciate help with or comments.
<br class="">
</div>
<div class=""><br class="">
</div>
<div class="">
<div class="">This is bands pathway for ibrav = 7:</div>
<div class="">K_POINTS crystal_b<br class="">
8<br class="">
0.0 0.0 0.0 50 !G<br class="">
0.5 0.0 0.0 50 !M<br class="">
0.5 0.0 0.5 50 !L<br class="">
0.0 0.0 0.0 50 !G<br class="">
0.5 0.5 0.0 50 !K<br class="">
0.5 0.5 0.5 50 !H<br class="">
0.0 0.0 0.0 50 !G<br class="">
0.0 0.0 0.5 1 !A</div>
<div class=""><br class="">
</div>
<div class="">From bands.x output:<br class="">
Reading collected, re-writing distributed wavefunctions<br class="">
high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 0.0000<br class="">
high-symmetry point: 0.5000 0.2887 0.0000 x coordinate 0.5774<br class="">
high-symmetry point: 0.5000 0.2887 0.1648 x coordinate 0.7421<br class="">
high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 1.3425<br class="">
high-symmetry point: 0.5000 0.8660 0.0000 x coordinate 2.3425<br class="">
high-symmetry point: 0.5000 0.8660 0.1648 x coordinate 2.5073<br class="">
high-symmetry point: 0.0000 0.0000 0.0000 x coordinate 2.5073<br class="">
high-symmetry point: 0.0000 0.0000 0.1648 x coordinate 2.6720</div>
<div class=""><br class="">
</div>
<div class="">I am not sure prelast point should be like this and not 3.2508, 3.6856.</div>
<div class=""><br class="">
</div>
<div class="">This result was obtained by 6.4 and 6.8 versions.<br class="">
</div>
<div class=""><br class="">
-- <br class="">
<div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature">
<div dir="ltr" class="">
<div class="">Best wishes,</div>
<div class="">Alex (<span style="border-collapse:separate;line-height:normal;text-align:-webkit-auto;text-indent:0px;border-spacing:0px" class=""><span style="text-align:-webkit-auto" class="">she/her/hers),</span></span></div>
<div class="">phd candidate in chemical sciences<br class="">
'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)<br class="">
<a href="https://cpms.kaust.edu.sa/" target="_blank" class="">https://cpms.kaust.edu.sa/</a></div>
</div>
</div>
</div>
</div>
</div>
<br class="">
<div class="">
<hr class="">
</div>
<font face="Arial" size="1" class="">This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this
message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email.</font></div>
</div>
_______________________________________________<br class="">
Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu" class="">www.max-centre.eu</a>)<br class="">
users mailing list <a href="mailto:users@lists.quantum-espresso.org" class="">users@lists.quantum-espresso.org</a><br class="">
<a href="https://lists.quantum-espresso.org/mailman/listinfo/users" class="">https://lists.quantum-espresso.org/mailman/listinfo/users</a></div>
</blockquote>
</div>
<br class="">
</div>
</body>
</html>