Interdisciplinary Materials Group at National Taiwan University
We are a theory-driven research group focused on solid-state theory, simulation, and machine learning in materials science.
Optical properties calculation
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.