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<div class="moz-cite-prefix">You should check for ghoststate:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08960.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg08960.html</a><br>
<br>
You can try adjusting RMT or energy parameters: <br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09842.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09842.html</a><br>
<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>
<br>
If starting density is bad, sometimes adjust iqtlsave:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09836.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg09836.html</a><br>
<br>
On 4/20/2014 11:02 AM, Saleem Ayaz wrote:<br>
</div>
<blockquote
cite="mid:1398013331.13293.YahooMailNeo@web163001.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:verdana, helvetica, sans-serif;font-size:8pt">
<div class="" style="">Dear users</div>
<div class="" style="">During SCF calculation of La2CrCoO6 I got
the error</div>
<div class="" style="color: rgb(0, 0, 0); font-size:
10.666666984558105px; font-family: verdana, helvetica,
sans-serif; background-color: transparent; font-style:
normal;"><span style="font-weight: bold;">Error in LAPW2</span></div>
<div class="" style=""><span style="font-weight: bold;"> 'LAPW2'
- semicore band-ranges too large, ghostbands ?</span></div>
<div class="" style=""><span style="font-weight: bold;">**
testerror: Error in Parallel LAPW2</span></div>
<div class="" style=""><br class="" style="">
</div>
<div class="" style="">How to deal with this? Help me please.</div>
</div>
</blockquote>
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