Dear Xavier,
Check the output file generated using the turbo_spectrum.x program. If you perform the calculation using ipol = 4 you will find the following: chi_i_j: dipole polarizability tensor in units of e^2*a_0^2/energy S: oscillator strength in units of 1/energy S(\hbar \omega) = 2m/( 3 \pi e^2 \hbar) \omega sum_j chi_j_j For more details please check this paper: https://www.sciencedirect.com/science/article/pii/S0010465511001512 HTH Iurii -- Dr. Iurii TIMROV Senior Research Scientist Theory and Simulation of Materials (THEOS) Swiss Federal Institute of Technology Lausanne (EPFL) CH-1015 Lausanne, Switzerland +41 21 69 34 881 http://people.epfl.ch/265334 ________________________________ From: José Xavier <jxln_kar...@yahoo.com.br> Sent: Sunday, May 28, 2023 1:12:35 AM To: Quantum ESPRESSO Users Forum; Iurii TIMROV Subject: Re: Doubt about Hands-on QE summer school TD-DFT exercise (day 3) Dear Dr. Timrov, Thank you again. You have helped me a lot. I'll read the references you suggested. In the hands-on, the spectrum (absorption, I believe) is plotted just using the ômega (in eV) and the imaginary dielectric constant. Why? Isn't it necessary another data? Besides, converting the ômega for eV, which unit should I use in the absorption plot (Y axis)? Thanks for your help Xavier Universidade Federal do Rio Grande do Norte
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