<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>
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