How to get total dos?

#1


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?)

#2

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

#3

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.

#4

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