How to plot RTC (running thermal conductivity) as a function of correlation time like the one shown on the right side of the attached image?
I mean I can print values of kappa in 3 directions after every $d(= $s*$p) time steps in lammps script. So, what i would get is thermal conductivity vs runtime graph not kappa vs correlation time graph.
I guess you need to calculate the equation (1) from this article:Article Equivalence of the equilibrium and the nonequilibrium molecu...
Gabor Kurdi sorry for the late reply. Yes, I am using this equation in lammps. I get the Hcacf vs correlation time easily. But from the formula I get a single value of Thermal conductivity for a single time step. With this I could get one TC value for one correlation time setup(s,p parameters). Yes, I can generate TC vs corr time graph but not like the graph I have posted above.
In optics we can talk about interferometric (phase sensitive) and intensity autocorrelation. You can see the difference in this wikipedia article: https://en.wikipedia.org/wiki/Optical_autocorrelation
It could mean now you use the "intensity autocorrelation" formula. Maybe you can ask the author of that graph or check their papers to see their "interferometric autocorrelation" formula. Or, if it's the right formula, you may need to decrease the delay step size to the fs level to see those oscillations.
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