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L.Z. Sun wrote:<br>
<blockquote type="cite"
cite="mid200409210336.i8L3ZsLl028666@tuvok.kom.tuwien.ac.at">
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<div>Dear Wien2k users</div>
<div>which output files which i can find the electrons occupation
number for each band?</div>
<div>thanks advance</div>
<div>L.Z.Sun <br>
</div>
</blockquote>
In the case.output1 file, you would find a list of eigenvalues
corresponding to the different k-points. For a non-spin-polarized
calculation, the occupancy of each energy eigenvalue is 2 and the same
for a spin-polarized calculation is 1. The valence band is clearly
apparent in the list of eigen values as it usually starts at around -1
Ry.<br>
<br>
<pre class="moz-signature" cols="72">--
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Abir De Sarkar
Fritz-Haber-Institut der Max-Planck-Gesellschaft,
Abteilung Theorie (Theory Department), Office : T 1.03
Faradayweg 4-6, D-14195 Berlin (Germany)
(<a class="moz-txt-link-freetext" href="http://www.fhi-berlin.mpg.de/th">http://www.fhi-berlin.mpg.de/th</a>)
e-mail : <a class="moz-txt-link-abbreviated" href="mailto:sarkar@fhi-berlin.mpg.de">sarkar@fhi-berlin.mpg.de</a>
PHONE: +49 30 8413 4852 FAX: +49 30 8413 4701
WWW : <a class="moz-txt-link-freetext" href="http://www.fhi-berlin.mpg.de/th/member/desarkar_a.html">http://www.fhi-berlin.mpg.de/th/member/desarkar_a.html</a>
<a class="moz-txt-link-freetext" href="http://www.fhi-berlin.mpg.de/th/reuter/catalysis.html">http://www.fhi-berlin.mpg.de/th/reuter/catalysis.html</a>
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