This is a guide to perform optical properties calculation using the pw2gw.x code of the PP package of Quantum Espresso
In this tutoria we will see how to use the pw2gw.x code to perform optical properties calculation for different systems. We will focus on systems with different dimensionalities:
- 1D: Germanium cluster Ge5H12
- 2D system: Graphene
- 3D system: Bulk silicon For all these systems the DOS and the imaginary part of the dielectric function will be calculated.
- pw2gw.x for the dielectric function
- dos.x for the density of states
- broad.x for the gaussian broadening of the optical spectra