I have plotted the density of states using GGA-PBE exchange correlation functional for magnesium silcide but I really do not know what the equations involved are in this process, and how they relate to DFT?

Density of States Plot

  • $\begingroup$ +1 But only one question per post please. For example if you ask what DOS means, then asking what a different thing means ought to be asked in a separate post. Also, can you cut out some of the whitespace in this picture so that it looks better? $\endgroup$ Mar 19, 2021 at 16:06
  • $\begingroup$ @TristanMaxson thanks so much for doing that!! $\endgroup$ Mar 19, 2021 at 18:12
  • $\begingroup$ You may take a look at this post: mattermodeling.stackexchange.com/questions/1791/… $\endgroup$
    – Jack
    Mar 20, 2021 at 7:13

1 Answer 1


From the Wiki page, the density of states (DOS):

In solid state physics and condensed matter physics, the density of states (DOS) of a system describes the proportion of states that are to be occupied by the system at each energy. The density of states is defined as $D(E) = N(E)/V$, where $N(E)\delta E$ is the number of states in the system of volume $V$ whose energies lie in the range from $E$ and $E + \delta E$.

The DOS is not directly linked to DFT, it is a solid state concept about how the electrons are energetically distributed. The DFT is the method used to calculate it (there are other method that can be used).


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