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<p>Hi,</p>
<p><br>
</p>
<p>this is done on purpose, the individual contributions are kept
separated for finer analysis (e.g. that's how you would get O-2p
and W-5d PDOS in c) of <a
href="https://www.cp2k.org/_detail/exercises:2017_uzh_cmest:wo3.jpeg?id=exercises%3A2017_uzh_cmest%3Apdos">https://www.cp2k.org/_detail/exercises:2017_uzh_cmest:wo3.jpeg?id=exercises%3A2017_uzh_cmest%3Apdos</a>).
Note that they are convoluted though. If you want the total PDOS
out of this, you have to sum over the different levels.</p>
<p><br>
</p>
<p>Best,</p>
<p>Augustin<br>
</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 9/4/20 6:27 PM, Dev Rana wrote:<br>
</div>
<blockquote type="cite"
cite="mid:f909c5ce-3dcc-40...@googlegroups.com">
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<div dir="ltr">Hello,
<div><br>
</div>
<div>I'm trying to use Tiziano's PDOS script from the example
here: <a class="moz-txt-link-freetext" href="https://www.cp2k.org/exercises:2017_uzh_cmest:pdos?s">https://www.cp2k.org/exercises:2017_uzh_cmest:pdos?s</a>[]=band.
Using the other scripts in this example seem to work fine
giving convoluted PDOS. However, Tiziano's script only seems
to convert to eV, but keeps everything in individual MOs. </div>
<div><br>
</div>
<div>Is there a proper way of using these files?</div>
<div><br>
</div>
<div>Best Regards,</div>
<div>Dev</div>
</div>
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<pre class="moz-signature" cols="72">--
Augustin Bussy
PhD Student
--------------------------
University of Zurich
Augustin Bussy
Department of Chemistry
Research Group Hutter
Winterthurerstrasse 190
CH-8057 Zurich
Tel: +41 44 635 4490
<a class="moz-txt-link-abbreviated" href="http://www.chem.uzh.ch">www.chem.uzh.ch</a>
<a class="moz-txt-link-abbreviated" href="mailto:august...@chem.uzh.ch">august...@chem.uzh.ch</a>
--------------------------
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