Dear Dr. Timrov, Thank you again! I'll read the paper you suggested.
I applied the equations I previously mentioned (M Jubair et al 2019 J. Phys. Commun. 3 055017) but the results were different I expected. I followed the steps in the hands-on to fill out the lanczos (changing the "itermax" from 1500 to 3000 and not including "restart_step"), and the spectrum (changing "itermax0" = 3000, "itermax" = 30000, and "end" = 5.0d0). Real and Imaginary dielectric constants are: https://imgbox.com/J5HLzRm3 Refractive index: https://imgbox.com/xtDMWcN9 Absorption: https://imgbox.com/gKOSojww Loss function: https://imgbox.com/9JdzXF6Z Conductivity: https://imgbox.com/7tbZ0EkT Dielectric constants are close I expected, but the Absorption and Loss function are constantly increasing, while the other graphs are not returning to Y=0 after peaks. Could you please help me to understand what I'm doing wrong? 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 users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
