
<div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><br><p class="MsoNormal"><span lang="EN-US">Hi, Manu</span></p>


<div><span lang="EN-US">It works well. </span></div><div><span lang="EN-US">Do you mean increase the number

of the intermediate points between the high symmetry points (like G</span><span style="font-family:宋体;mso-ascii-font-family:Calibri;mso-ascii-theme-font:minor-latin;

mso-fareast-font-family:宋体;mso-fareast-theme-font:minor-fareast;mso-hansi-font-family:

Calibri;mso-hansi-theme-font:minor-latin">、</span><span lang="EN-US">X) in

Brillouin zone.</span></div>


<p class="MsoNormal"><span lang="EN-US">Thank you very much.</span></p>


<p class="MsoNormal"><span lang="EN-US">Evan</span></p>


<p class="MsoNormal"><span lang="EN-US">USC, China</span></p><br><br><br><div style="position:relative;zoom:1"></div><div id="divNeteaseMailCard"></div><br>At 2016-05-01 23:08:07, "Manu Hegde" <mhegde@uwaterloo.ca> wrote:<br> <blockquote id="isReplyContent" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><div dir="ltr"><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">HI Evan,<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">I had the similar problem (overlapping of bands), just put no_overlap = .true. , in <a href="http://bands.in">bands.in</a> file, it should work. Also you may have to increase the k-points.<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Hope it helps.<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">Manu<br><br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif">University of Waterloo<br></div><div class="gmail_default" style="font-family:arial,helvetica,sans-serif"><br><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Sun, May 1, 2016 at 9:46 AM, evan <span dir="ltr"><<a href="mailto:ewan26@126.com" target="_blank">ewan26@126.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif"" lang="EN-US">Hi, All<u></u><u></u></span></p>


<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif"" lang="EN-US">I calculate

the band structure of LiF crystal, but the results show that the band lines

cross, that is very strange. The input files and results are attached, the version

of the QE codes employed is v5.2.0.</span></p>


<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif"" lang="EN-US">I do not

know to fix the problem. Your suggestions or comments are highly appreciated.<u></u><u></u></span></p>


<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif"" lang="EN-US">Regards.<u></u><u></u></span></p>


<p class="MsoNormal"><br></p>


<p class="MsoNormal"><span style="font-size:12.0pt;font-family:"Cambria","serif"" lang="EN-US">Evan<u></u><u></u></span></p>


<span style="font-size:12.0pt;font-family:"Cambria","serif"" lang="EN-US">USC, China</span></div><br><br><span title="neteasefooter"><p> </p></span><br>_______________________________________________<br>

Pw_forum mailing list<br>

<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>

<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br></div>

</blockquote></div><br><br><span title="neteasefooter"><p> </p></span>