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<p>To add to that:</p>
<p>a) Sometimes, but not always, such errors can be resolved by
updating to the latest WIEN2k version and starting from a fresh
directory (with only the case.struct in it). You didn't mention,
are you using the latest WIEN2k 19.1? If not, as the WIEN2k 19.1
updates page states, Version 19.1 is a major update. Are you also
using any or all of the WIEN2k 19.1 patches from the mailing
list? A list that I have assembled is at [1].</p>
<p>b) General tips for resolving a ghostbands error like the one you
have below should be in section "12.1 Ghost bands" of the WIEN2k
usersguide (starting on page 246) [2].<br>
</p>
<p>c) I could be wrong, but I thought recalled calculations on
structures with Nd possibly being more challenging. You might
have a look in the mailing list archive for past posts on Nd, such
as [3] and [4].<br>
</p>
<p>d) For some other tips that might help with the "semicore
band-ranges too large, ghostband" error, refer to [5].<br>
</p>
[1] <a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1">https://github.com/gsabo/WIEN2k-Patches/tree/master/19.1</a><br>
[2]
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a><br>
[3]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18345.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18345.html</a><br>
[4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18367.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18367.html</a><br>
[5]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10561.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10561.html</a><br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 2/29/2020 6:44 AM, Laurence Marks
wrote:<br>
</div>
<blockquote type="cite"
cite="mid:CANkSMZDQTTiJ6yWHw8fxuSpk_-zcAuDO7mzz2Dyte4FErmAj7g@mail.gmail.com">
<meta http-equiv="content-type" content="text/html; charset=UTF-8">
<div dir="auto">Without more information nobody can help you.<br>
<br>
<div data-smartmail="gmail_signature">_____<br>
Professor Laurence Marks<br>
"Research is to see what everybody else has seen, and to think
what nobody else has thought", Albert Szent-Gyorgi<br>
<a href="http://www.numis.northwestern.edu"
moz-do-not-send="true">www.numis.northwestern.edu</a></div>
</div>
<br>
<div class="gmail_quote">
<div dir="ltr" class="gmail_attr">On Sat, Feb 29, 2020, 06:14
姜若诗 <<a href="mailto:ruoshijiang@sjtu.edu.cn"
moz-do-not-send="true">ruoshijiang@sjtu.edu.cn</a>>
wrote:<br>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
<div lang="EN-US">
<div class="m_-7428667232971877736WordSection1">
<p class="MsoNormal">Dear experts,</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">I got stuck on the problem when I do
the supercell calculation of heavy elements Nd. </p>
<p class="MsoNormal">The normal cell calculation is
everything good, but it supercell calculation, the ghost
band showed up in lapw2.</p>
<p class="MsoNormal">-------------------------------error
message---------------------------</p>
<p class="MsoNormal">'LAPW2' - semicore band-ranges too
large, ghostbands ?</p>
<p class="MsoNormal">-----------------------------------------------------------------------------</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">Do you know how to fix it ?</p>
<p class="MsoNormal">Looking forward to your reply. Thank
you very much.</p>
<p class="MsoNormal"> </p>
<p class="MsoNormal">Best,</p>
<p class="MsoNormal">Jasmine</p>
</div>
</div>
</blockquote>
</div>
</blockquote>
<blockquote type="cite"
cite="mid:CANkSMZDQTTiJ6yWHw8fxuSpk_-zcAuDO7mzz2Dyte4FErmAj7g@mail.gmail.com"></blockquote>
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