[QE-users] Does anyone know how to calculate the DOS projected onto a spherical region from the center of an atom, and the DOS projected onto a Bader region?

[Marcelo Albuquerque]

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.
However, I was wondering if this would be possible using Quantum Espresso.
Does anyone know how to perform such a calculation?
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)?
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 http://theory.cm.utexas.edu/henkelman/code/bader/
<https://www.researchgate.net/deref/http%3A%2F%2Ftheory.cm.utexas.edu%2Fhenkelman%2Fcode%2Fbader%2F>.
But I don't know how to perform the DOS projected in those regions. Can
someone help me with this?
I appreciate it in advance.

Link for the file:
https://drive.google.com/file/d/1ddImlngmAdTUN4-oUrPg6h-bQ6n4VUZD/view?usp=sharing

*       Marcelo Albuquerque*

*          Ph.D. Student*

*      Instituto de Física*

*Universidade Federal Fluminense (UFF)*
*       Niteroi/RJ - Brazil*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200205/b0c62add/attachment.html>