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<p class="MsoNormal">Hi,<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am trying to compute the dos and pdos, but am getting the following error when running either dos.x or projwfc.x:<o:p></o:p></p>
<p class="MsoNormal"> Error in routine offset_atom_wfc (1):<o:p></o:p></p>
<p class="MsoNormal"> Hubbard manifold with zero occupations is not allowed<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">SCF runs correctly and completes fine. <o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am using v7.1. I tried applying patches 1946, 1948, and 1951 from the development branch, but the error still occurs.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Sample input to reproduce the error is located here: <a href="https://drive.google.com/drive/folders/1hfVNjDqyk7uudmSdFoGMcABlypG7pP1T?usp=sharing">
https://drive.google.com/drive/folders/1hfVNjDqyk7uudmSdFoGMcABlypG7pP1T?usp=sharing</a>
<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">I am not sure if this is a bug or user error on my part.<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Thank you for your help!<o:p></o:p></p>
<p class="MsoNormal">Daniel<o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal">Daniel Straus<o:p></o:p></p>
<p class="MsoNormal">Postdoctoral Research Associate<o:p></o:p></p>
<p class="MsoNormal">Department of Chemistry<o:p></o:p></p>
<p class="MsoNormal">Princeton University<o:p></o:p></p>
<p class="MsoNormal">Frick Laboratory A09<o:p></o:p></p>
<p class="MsoNormal">Princeton, NJ 08544<o:p></o:p></p>
<p class="MsoNormal"><a href="mailto:dstraus@princeton.edu"><span style="color:#0563C1">dstraus@princeton.edu</span></a><o:p></o:p></p>
<p class="MsoNormal"><o:p> </o:p></p>
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