Optical properties calculation

• Change the values of nbnd and the number of k‐points grid in nscf.in to check the convergence of the dielectric function of monolayer MoS2.
• Change the values of intersmear and check the convergence of the dielectric function of monolayer MoS2.

Raman calculation

• Calculate the non-resonance Raman spectra of bulk Si.

QE Generator

• Calculate the electronic and phonon properties of any material you like.