Raven.jl Raven.jl: Small polaron mobility by hopping. (A work in progress.) --- Glossary ---------------------------------------------------------------- a,b,c = lattice dims N = number of mobile ions (Nions) M = number of defects (Ndef); occ = -1 means defect SITES = abc steps = total attempted moves (N * sweeps) sweeps = ceil(steps / N) lagtime = τ used for MSD windows pos = N×3 Int, ion coordinates (1-based, PBC) occ = a×b×c Int, 0 empty, >0 ion id, -1 defect disp = 3×N Int, cumulative displacement per ion dr_log = (sweeps+1)×3×N Int, displacement snapshot by sweep acc_log = (sweeps+1)×N Int, accepted hops per ion Dtr/Dbulk = tracer / collective diffusion Haven = Dtr / Dbulk -----------------------------------------------------------------------------
