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Some general comments: In fact, I think this band fitting is not
good enough, which may be one of the signature that the spread is
still quite large. Because all these bands are crossed, I think it
is better to use disentanglement. And by the way, it is necessary to
check if your projections are good for these bands, which can be
justified from a kind of projected density of states calculation (I
heard this from someone else, but I have no idea how to do it). <br>
<br>
<br>
Best,<br>
JinLuo<br>
<br>
<div class="moz-cite-prefix">On 2016年02月13日 17:04, KuangChung Wang
wrote:<br>
</div>
<blockquote
cite="mid:CABtvhppAsjqygQUCmVVxrx=GbGhjALcvdxkP9PXEdm=56GeKMg@mail.gmail.com"
type="cite">
<div dir="ltr">Please allow me to post it again. Since I wasn't
aware of how this forum is organized and just posted scattered
info. Let me redo the job.
<div><br>
</div>
<div><span style="font-size:12.8px">Dear wannier community:</span><br
style="font-size:12.8px">
<br style="font-size:12.8px">
<span style="font-size:12.8px">I am trying to work on CoSi2.
Using the initial projection as shown.</span><br
style="font-size:12.8px">
<span style="font-size:12.8px">However, the spreading is still
quite large and the Bandstructure is quite wiggling.
Although it looks good enough if we just consider the bands
around Ef~8eV Wonder if there are good </span><span
style="font-size:12.8px">suggestions on how to choose the
projections. Or if the disentanglement is </span><span
style="font-size:12.8px">needed in this case. Thank you.</span><br>
</div>
<div><span style="font-size:12.8px"><br>
</span></div>
<div><span style="font-size:12.8px">Here I have appended the
bandstructure and the *.win file.</span><img
src="cid:part1.06080208.01040705@gmail.com" alt="Inline
image 1" style="font-size: 12.8px;" height="408" width="408"></div>
<img moz-do-not-send="true"
src="http://t.sidekickopen35.com/e1t/o/5/f18dQhb0S7ks8dDMPbW2n0x6l2B9gXrN7sKj6v4LCMTW2zGJXn8qjFH2W7N-3B24PCG1qf1KC01T01?si=6402233702285312&pi=a9bf6358-95a2-4981-e2d2-9da46a495c56"
style="display:none!important" height="1" width="1"></div>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
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</pre>
</blockquote>
<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>
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