[Materials Square] Density of States with Quantum Espresso

The density of states (DOS) is the number of different electron states whose occupation is allowed in a specific energy level, which is (N(states)∙E-1V-1).[1] DOS is a very important concept to describe the properties of a macroscopic system quantum-mechanically.[2] Moreover, it is one of the calculation data frequently used when obtaining the electronic structure of a substance.[3] In terms of an experiment, it can be measured by photoemission spectroscopy (PES), which is a photoelectron experiment. In addition, in terms of computer simulation, it is usually calculated by using the Kohn–Sham equation. 👉 Read more: https://www.materialssquare.com/blog/...