<div dir="ltr"><div style="border:0px;margin:0px 0px 15px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">I saw an interesting figure (Figure 2 of the file at the link below), which showed both the DOS mentioned in the question above. In fact, they did those calculations using the based-DFT VASP package.</div><div style="border:0px;margin:0px 0px 15px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">However, I was wondering if this would be possible using Quantum Espresso.</div><div style="border:0px;margin:0px 0px 15px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">Does anyone know how to perform such a calculation?</div><div style="border:0px;margin:0px 0px 15px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">As a matter of fact, I know that the program projwfc.x can calculate local DOS inside volumes of boxes containing the FFT grid. But how can I define the spherical radius from a specific atom (for example, for 1 or 2 angstroms radius)?</div><div style="border:0px;margin:0px 0px 15px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">Yet, in the case of the Bader region, I know how to calculate the Bader charge and the Bader volume from postprocessing (using pp.x) code, and using a code from <a href="https://www.researchgate.net/deref/http%3A%2F%2Ftheory.cm.utexas.edu%2Fhenkelman%2Fcode%2Fbader%2F" rel="noopener" target="_blank" style="color:inherit;outline:none;padding:0px;margin:0px;font-size:inherit;font-family:inherit;font-weight:inherit;border:0px;background:none;text-align:inherit;display:inline">http://theory.cm.utexas.edu/henkelman/code/bader/</a>. But I don't know how to perform the DOS projected in those regions. Can someone help me with this?</div><div style="border:0px;margin:0px 0px 15px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3"></div><div style="border:0px;margin:0px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">I appreciate it in advance.</div><div style="border:0px;margin:0px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3"><br></div><div style="border:0px;margin:0px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3">Link for the file: <a href="https://drive.google.com/file/d/1ddImlngmAdTUN4-oUrPg6h-bQ6n4VUZD/view?usp=sharing">https://drive.google.com/file/d/1ddImlngmAdTUN4-oUrPg6h-bQ6n4VUZD/view?usp=sharing</a></div><div style="border:0px;margin:0px;padding:0px;color:rgb(17,17,17);font-family:Roboto,Arial,sans-serif;font-size:17.5px;line-height:1.3"><br></div><div><div dir="ltr"><div dir="ltr"><blockquote style="margin:0px 0px 0px 40px;border:none;padding:0px"></blockquote><i style="text-align:center;color:rgb(0,0,0);font-family:monospace"><div style="text-align:left"><i><font size="1">       Marcelo Albuquerque</font></i></div></i><blockquote style="margin:0px 0px 0px 40px;border:none;padding:0px"></blockquote><i style="text-align:center;color:rgb(0,0,0);font-family:monospace"><div style="text-align:left"><i><font size="1">          Ph.D. Student</font></i></div></i><blockquote style="margin:0px 0px 0px 40px;border:none;padding:0px"></blockquote><i style="text-align:center;color:rgb(0,0,0);font-family:monospace"><div style="text-align:left"><i><font size="1">      Instituto de Física</font></i></div></i><blockquote style="margin:0px 0px 0px 40px;border:none;padding:0px"></blockquote><i style="color:rgb(0,0,0);font-family:monospace;font-size:x-small;text-align:center"><div style="text-align:left"><i>Universidade Federal Fluminense (UFF)</i></div></i><div><div><div><font face="monospace" color="#000000" size="1"><i>       Niteroi/RJ - Brazil</i></font></div></div></div></div></div></div></div>