<div dir="ltr">Dear Martin,<div><br></div><div>It seems that two bands are degenerated in that region(x>~1.05) , </div><div>so that they share half of the weight as following:</div><div>--------1</div><div> >===.5 X 2</div>
<div>--------0</div><div><br></div><div>Best,</div><div>Kyoo</div><div><br></div></div><div class="gmail_extra"><br><br><div class="gmail_quote">2014-06-04 5:06 GMT+09:00 Martin Gmitra <span dir="ltr"><<a href="mailto:martin.gmitra@gmail.com" target="_blank">martin.gmitra@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear wien2k users,<div><br></div><div>I am doing calculations (v13.1) of band structure characters with SOC for MoS2 (x lapw2 -so -band -qtl). I have found that the lower valence band split due to spin-orbit coupling has very tiny fat balls for all the atoms and orbitals. What would be (physical) reason for loosing orbital character? I am attaching plot of the valence bands.</div>
<div><br></div><div>Best regards,</div><div>Martin Gmitra</div><div>Uni Regensburg</div></div>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div dir="ltr"><div style="font-family:arial;font-size:small">Kyoo Kim,</div><div style="font-family:arial;font-size:small">dept of Physics,</div><div style="font-family:arial;font-size:small">
POSTECH, Pohang ,</div><div style="font-family:arial;font-size:small">Korea</div></div>
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