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1

Hi

I can compute msd values using lammps. I want to calculate diffusion coefficient. Is there any command or other software to compute diffusion coeff or I have to do manually.

2

Hi

I can compute msd values using lammps. I want to calculate diffusion
coefficient. Is there any command or other software to compute diffusion
coeff or I have to do manually.

http://lammps.sandia.gov/doc/Section_howto.html#howto-22