Dear QE users, I am performing some absorption calculations using the turbo_eels.x and turbo_spectrum.x executables at q1=0.0001, q2=0.0, q3=0.0, as is advised by the developers of these toolsets. The reason I am not using the tubo_lanczos.x is because I am not using a supercell and I have included the spin-orbit coupling (SOC). I have got some interesting results. My question is How would I compare these results to those outputted by the epsilon.x toolset? epsilon.x outputs the different tensor components (xx,yy,zz), whereas turbo_spectrum.x just outputs one column for the real part of the dielectric function and another column for the imaginary part.
Would it be reasonable to compare these results to the average epsilon_1 and epsilon_2 given by epsilon.x? Regards
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