How to get total dos?


m = MPRester(‘api_key’)
dos = m.get_dos_by_material_id(‘mp_id’)
total_dos = sum(dos.densities.values())

In the above, I can get the total dos data.
However, the data showed only the total dos information (not include energy data line).

How do I get energy vs dos data?
(+ also Can I get dos with smearing?)


What do you mean by energy data line? It sounds like you’re describing the band structure?


generally, DOS data is composed by DOS with respect to energy, so we can check fermi energy, but when I use “tot_dos=sum(dos.densities.values())”, they only show density value, like this ( under image), so I want to know that ENMAX, ENMIN, and NEDOS.


There is a energies property for dos objects. Please check the pymatgen documentation and ask follow on questions on the pymatgen discourse.