Compute Spectrum

It is used to plot spectrum based on the input parameters.

Calculation of absorption spectrum Performs the Fourier Transformation of dipole-dipole autocorrelation to calculate oscillator strength and plots the absortion Spectrum. Plotting requires the following input:

1. Energy step (in eV): Steps/interval of Energy axis at which the oscillator strengths are interpolated.

1. Minimum & Maximum Energy (in eV): X-axis (Energy in eV) range for plotting.