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[lammps-users] Diffusion Coefficient in 2d
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[lammps-users] Diffusion Coefficient in 2d


From: John Smith <johnson21smith@...24...>
Date: Wed, 14 Jun 2017 17:45:34 -0500

In the lammps/examples/DIFFUSE directory, I found that in both cases for calculating diffusion coefficient using VACF or MSD, there is a factor of 0.5 for vacf and 10/4 for msd. What is the reason behind this?

In the case of 3d simulations, do we not factor the 0.5 and 10.4?

Thanks,
John