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<div class="moz-cite-prefix">Most likely, you need to do the "x
lapw1 [-up | -dn]" steps shown in w2web before running "x lapw2
-qtl [-up | -dn] -so" [
<a class="moz-txt-link-freetext" href="https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09896.html">https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09896.html</a>
].<br>
<br>
On 10/26/2014 5:18 PM, Mohammed Abujafar wrote:<br>
</div>
<blockquote
cite="mid:1928326282.676916.1414365490269.JavaMail.yahoo@jws106122.mail.bf1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:14px">
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr">Dear WIEN2k
Users,</div>
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr">I have
calculated the band structure & electron charge density
with spin orbit coupling(SOC) for ScN compound in RS
structure without errors.When I calculate the DOS with SOC, I
got the following:</div>
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr"> FERMI -
Error</div>
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr" class=""
style="">0.045u 0.002s 0:00.04 100.0%<span class=""
style="white-space:pre"> </span>0+0k 0+40io 0pf+0w</div>
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr" class=""
style="">How can I fix it ?</div>
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr" class=""
style="">Thanks a lot for your help.</div>
<div id="yui_3_16_0_1_1414364797096_3553" dir="ltr" class=""
style="">Mohammed</div>
</div>
</blockquote>
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