hi all,
I have a doubt regarding the nfreq used in ave/correlate command. I am calculating thermal conductivity of Ar Cu nanofluid system using Green - Kubo method. If I am using very small timestep like 0.01 fs, whether I should change Nfeq in ave/correlate command to a very higher value? correlation decay approaches zero anyway when I tried with same nfreq (2000) for both, means 0.01fs and 10fs. Plese anyone could help…