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<div class="moz-cite-prefix">See slide 16 in the file at
<a class="moz-txt-link-freetext" href="http://www.wien2k.at/events/ws2008/talks/Blaha.pdf">http://www.wien2k.at/events/ws2008/talks/Blaha.pdf</a> . In the
figure, it can be seen that small gaps are skipped in the search
when the value of E-separ0 (esepar0) is set slightly larger than
small gaps, such that E-separ (Energy to separate low and high
energystates) is found in the gap that is larger than esepar0. It
can be seen that E-separ lies in the large gap between then
valence and semi-core states.<br>
<br>
On 6/23/2015 3:06 AM, Seyyed Amir Abbas Emami wrote:<br>
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<blockquote cite="mid:1435050360802229746@birjand.ac.ir" type="cite">
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dear Gavin
<div>Thank a lot for your reply.</div>
<div><br>
</div>
<div>But i have an question. Sometimes there are more than one gap
in DOS. Now which gap must be considered as separation gap (i.e
separate of valence and semi-core) or esepar0.Can the value of
energy that mentioned in scf2 as "<span style="font-family:
courier, 'courier new', monospace; font-size: 14px;
line-height: 19.6000003814697px; white-space: pre-wrap;
background-color: rgb(255, 255, 255);">Energy to separate low
and high energystates: -1.200" be considered as a criteria to
find this gap.I mean the gap after this value be as a esepar0.</span></div>
<div><span style="font-family: courier, 'courier new', monospace;
font-size: 14px; line-height: 19.6000003814697px; white-space:
pre-wrap; background-color: rgb(255, 255, 255);"><br>
</span></div>
<div><span style="font-family: courier, 'courier new', monospace;
font-size: 14px; line-height: 19.6000003814697px; white-space:
pre-wrap; background-color: rgb(255, 255, 255);">thank you in
advanse.</span></div>
</blockquote>
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