What is the wavelength at zero energy ? Ciao Gerhard
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy: "I think the problem, to be quite honest with you, is that you have never actually known what the question is." ==================================== Dr. Gerhard H. Fecher Institut of Physics Johannes Gutenberg - University 55099 Mainz ________________________________________ Von: Wien [[email protected]] im Auftrag von Atefe Marasi [[email protected]] Gesendet: Montag, 29. November 2021 23:25 An: [email protected] Betreff: Re: [Wien] How to find the exact value of infinte epsilon? Dear Xavier Thank you for your prompt reply. > Infinite epsilon means that you extrapolate ... Do you mean that infinite epsilon (epsilon_oo) is nothing more than epsilon zero (epsilon_0)? > You must plot the real part... I have plotted the real part of epsilon in z direction(for BaTiO3), as would be seen from the following link: https://imgurl.ir/uploads/p793339_infinite_epsilon.jpg As expected, the above figure shows that the real part of the epsilon tends to unity at high frequency. From this plot, the epsilon_0 is about 6.5, but I am still not sure that whether infinite epsilon is really equal to epsilon_zero (epsilon_oo =? epsilon_0). > You must be careful because if you have a band gap and a bad description of > the gap value ... Thank you for this hint. I will try to obtain a suitable band gap by TB-mBJ functional. However, at this step, I need to find out the difference between epsilon_oo and epsilon_0. In my opinion, which I am not sure about it, epsilon_00 would be evaluated at infinite energy, while epsilon_0 would be evaluated at zero energy, as deduced from their names. Thank you for your nice cooperation. Best Regards Atefe Marasi _______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html
