Dear QE users, I have to calculate the optical properties of a silicon unit cell, but I'm completely new to it..
I performed the SCF calculation with gamma K points (as in the hands on: https://gitlab.com/QEF/q-e/-/tree/develop/TDDFPT/examples/example02), and the Lanczos calculation with the following parameters: &lr_input prefix = 'silicon' outdir = './outdir' / &lr_control itermax = 1000 ipol = 4 / After, I ran the Turbo_Spectrum which created the silicon.plot_S and the plot_chi. I would like to plot the absorption data for the directions [001] [010] [100], what should I do to get the data to create these plots? Besides, Where can I find the real and imaginary parts of the dielectric function in the files created to plot these data? Thanks for your help! José XavierUFRN
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