<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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