Applications : Mid-Term

(optics)

1. calculate the refractive index of diamond.

2. plot the EELS spectra of graphite, with and without core-hole.

(low freq dielectric constant)

3. calculate IR spectra of CO₂, animate the bond bending mode.

(phonon)

4. calculte the phone dispersion of Si in primitive cell.

(soft-mode)

5. calculate the phonon dispersion curve for flat  silicene, amd idrntify the imaginary frequency mode and show its vibration.