calculate diffusion coefficeint from msd with lammps

hey, i want to calculate diffusion coefficient from Fe (pure metal). But i get trouble with the script. I have two script about how to calculate the diffusion coefficient from the internet. The first script it works, but the second script doesn’t work, and the problem is about read_data. Absolutely i don’t know about that.

hey, i want to calculate diffusion coefficient from Fe (pure metal). But i
get trouble with the script. I have two script about how to calculate the
diffusion coefficient from the internet. The first script it works, but the
second script doesn't work, and the problem is about read_data. Absolutely
i don't know about that.

​have you considered reading the LAMMPS documentation?​

​axel.​