Dear Dr. Timrov, Thank you again for your help. So, since the aim was to compare the absorption curve obtained with epsilon.x, turbo_Lanczos, and turbo_Davidson, the value was relevant. Ok.
One last question. Can I use the values obtained with Turbo_Lanczos to plot the other optical properties (refractive index, extinction coefficient, absorption, loss function, reflectivity, and conductivity) by applying the equations in M Jubair et al 2019 J. Phys. Commun. 3 055017 or should I use different methods? For example, the refractive index is obtained by: n(ω) = 1/(2)**1/2 [(ε1(ω)**2 - ε2(ω)**2)**1/2 - ε1(ω)]**1/2 Thanks for your help Xavier Universidade Federal do Rio Grande do Norte _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
