Density of states/ev/atom


I get structures’ total dos by sum(dos.densities.values()), but I am not sure the unit. How do I get the density of states per atom(density of states/ev/atom).

The current DOS available via MP are whole structure DOS in units of states/eV. Some of the DOS have atom projections, which enable getting DOS per atom, but this is not indexed, so it’s hard to search for it. We’re working on a number of updates to the electronic structure data, which will include having full atom projects for all DOS.

Actually – it looks like our current DOS may be re-normalized in some way, according to Jason. With our coming update to electronic structure data this should be properly documented.

Thanks a lot. I have another question, Dose those DOS calculations are calculted at 0 GPa and 0 K?