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<p class="MsoNormal"><span style="font-size:11.0pt;font-family:"Calibri","sans-serif";color:#1F497D">Not possible to help you before you attach your input files.<o:p></o:p></span></p>
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<p class="MsoNormal"><b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> pw_forum-bounces@pwscf.org [mailto:pw_forum-bounces@pwscf.org]
<b>On Behalf Of </b>Tonatiuh Rangel Gordillo<br>
<b>Sent:</b> 28 July 2014 18:06<br>
<b>To:</b> pw_forum@pwscf.org<br>
<b>Subject:</b> [Pw_forum] Fwd: generating PDOS is missing for some atoms<o:p></o:p></span></p>
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<p class="MsoNormal">Hello, <o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">I am using projwfc.x to generate the PDOS on all atoms of my system.<o:p></o:p></p>
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<p class="MsoNormal">At the end, the program ends up without any error or warning, but I find only files with the PDOS on only one kind of atom.<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">I have three kinds of atoms, Mn, V and O.<o:p></o:p></p>
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<p class="MsoNormal">In the standard output, I can see that only the pseudopotential of Oxygen is read. That is, the following kind of lines appear but only for oxygen:<o:p></o:p></p>
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<p class="MsoNormal"> Atomic states used for projection<o:p></o:p></p>
<p> (read from pseudopotential files):<o:p></o:p></p>
<p> state # 1: atom 1 (O ), wfc 1 (l=0)... etc..<o:p></o:p></p>
<p><o:p> </o:p></p>
<p>So, I am not sure why other pseudos are not read (or they are not reported).<o:p></o:p></p>
<p>At the very end, Lodwin charges equal to zero are reported for non-Oxygen atoms.<o:p></o:p></p>
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<p class="MsoNormal">It does not seems normal to me that I only get the PDOS on one kind of atoms..<o:p></o:p></p>
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<p class="MsoNormal">Is this a known issue?<o:p></o:p></p>
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<p class="MsoNormal">How can I get the PDOS on all atoms of my system?<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal"><br>
Best<span style="color:#888888"><o:p></o:p></span></p>
<p><span style="color:#888888">Tonatiuh Rangel<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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