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<div class="moz-cite-prefix">Dear Xi,<br>
I think the begin projection for highest 6 valence bands
and lowest 5 conduction bands maybe taken as<br>
Mo:l=2 for d orbits<br>
S : l=1 for p orbits.<br>
There are totally 11 orbits. I did this in abinit, the wannier
functions obtained look good.<br>
<br>
Best,<br>
JinLuo<br>
<pre class="moz-signature" cols="72">-----------------------------------------------------------
JinLuo Cheng
B-Phot, Floor 9, Building F Pleinlaan 2, 1050 Elsene, Belgium
Email: <a class="moz-txt-link-abbreviated" href="mailto:jinluocheng.phys@gmail.com">jinluocheng.phys@gmail.com</a>, <a class="moz-txt-link-abbreviated" href="mailto:jcheng@b-phot.org">jcheng@b-phot.org</a>
-----------------------------------------------------------</pre>
On 2014年03月27日 13:10, Xi Zhu wrote:<br>
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cite="mid:CACVXpUKT6awztk_hpQ4H9rjSox0GdKOfCguRvtFBrEr5AEY4wQ@mail.gmail.com"
type="cite">
<div dir="ltr">Dear Member;<br>
<br>
Could anyone give some suggestion on how to choose the "begin
projection" part in MoS2 single layer?<br>
<br>
Thanks !
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<div id=":4mr" class="" tabindex="0">XI<br>
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