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Dear Tonatiuh,<br>
<br>
we cannot help if you don't provide any information other than "It's
not working".<br>
Read also:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.quantum-espresso.org/forum/#1.0">http://www.quantum-espresso.org/forum/#1.0</a><br>
<br>
<a class="moz-txt-link-freetext" href="http://en.wikipedia.org/wiki/Minimal_Working_Example">http://en.wikipedia.org/wiki/Minimal_Working_Example</a><br>
<br>
Regards<br>
<br>
Thomas<br>
<br>
<div class="moz-cite-prefix">On 07/26/2014 07:41 AM, Tonatiuh Rangel
Gordillo wrote:<br>
</div>
<blockquote
cite="mid:CABA=E8ww2FhzB9-R2hPbNMwF552tSeSkV=naWs4VR_VYBe9s0g@mail.gmail.com"
type="cite">
<div dir="ltr">Hello,
<div><br>
</div>
<div>I am trying to generate the PDOS on all atoms of my system.</div>
<div><br>
</div>
<div>I am using projwfc.x to do so.</div>
<div><br>
</div>
<div>I have three kinds of atoms, but there are only PDOS files
for the first atom kind (which is Oxygen).</div>
<div><br>
</div>
<div>Also, in the output, I can read that only states on Oxygen
atoms were used:</div>
<div><br>
</div>
<div>
<p class=""> Atomic states used for projection</p>
<p class=""> (read from pseudopotential files):</p>
<p class=""> state # 1: atom 1 (O ), wfc 1 (l=0)...
etc..</p>
<p class=""><br>
</p>
<p class="">At the very end, Lodwin charges equal to zero are
reported for non-Oxygen atoms.</p>
<p class="">How can I get the PDOS on other atoms?</p>
<p class="">Is there a way to choose the atoms to calculate
the PDOS?</p>
<p class=""><br>
</p>
<p class="">Best</p>
<p class="">Tonatiuh</p>
</div>
<div><br>
</div>
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<pre class="moz-signature" cols="72">--
Dr. rer. nat. Thomas Brumme
Institut de Minéralogie, de Physique des Matériaux, et de Cosmochimie
Sorbonne Universités - UPMC Univ Paris 06
4 Place Jussieu
75005 Paris
Tel: +33 (0) 1 442 77204
email: <a class="moz-txt-link-abbreviated" href="mailto:Thomas.Brumme@impmc.upmc.fr">Thomas.Brumme@impmc.upmc.fr</a></pre>
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