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<p>The <font color="#0000ff">.vsp</font> from a non-spin polarized
calculation (run_lapw) doesn't seem right. It probably should be
reading .vspup (or .vspdn) based on <font color="#008000">uplapw2.error</font>
for a spin polarized calculation.</p>
<p>As described at [1], mixing those can cause issues. You might
try moving all files from the NaYbO1 directory except for
NaYbO1.struct, initialize (init_lapw), and then run the
calculation again (runsp_lapw).<br>
</p>
<p>If you are still getting the Ghostband error, you would have to
look into why whether that be due to an issue with the setup
struct file or something else [2-4].<br>
</p>
[1]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18853.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg18853.html</a><br>
[2] WIEN2k 21.1 userguide page 254 section "12.1 Ghost bands":
<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="http://www.wien2k.at/reg_user/faq/qtlb.html">http://www.wien2k.at/reg_user/faq/qtlb.html</a><br>
[4]
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13577.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13577.html</a><br>
<div class="moz-cite-prefix"><br>
</div>
<div class="moz-cite-prefix">On 8/29/2021 9:51 AM,
<a class="moz-txt-link-abbreviated" href="mailto:413119008@nitt.edu">413119008@nitt.edu</a> wrote:<br>
</div>
<blockquote type="cite"
cite="mid:20210829212157.Horde.Bj_V7erOhjpLmdpUMtNT1UG@students.nitt.edu"><br>
Respected Sir,
<br>
<br>
<br>
I am using Wien2k19.2 in my workstation .I am
workimg on a system and while running afm calculation i got an
error in lapw2 .
<br>
<br>
<br>
<br>
STOP L2main - QTL-B Error.
<br>
This is the error shown in STDOUT file
<br>
<br>
'LAPW2' - can't open unit: 18
<br>
'LAPW2' - filename: NaYbO1<font color="#0000ff">.vsp</font>
<br>
'LAPW2' - status: old form: formatted
<br>
This error meaasge is shown in lapw.error
<br>
<br>
'l2main' - QTL-B.GT.15., Ghostbands, check scf files
<br>
This error message in <font color="#008000">uplapw2.error</font>.
<br>
<br>
Can help me to Solve This?
<br>
with Regards
<br>
<br>
Narayanan Namboodiri p
<br>
</blockquote>
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