[lammps-users] Estimation of mean amplitude of vibration

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1

Dear all,
Is there a method by which we can estimate the mean amplitude of vibration for metals like copper in LAMMPS. I want to calculate the total displacements that atoms undergo as a result of the external force field; so I want to subtract the mean amplitude of vibration beforehand. Is there a way to estimate this in LAMMPS?

Regards,
Nandu Gopan,
M.Tech Nanotechnology,
School of Nanoscience and Technology,
NITC

I know how to make 4 horses pull a cart - I don’t know how to make 1024 chickens do it. – Enrico Clementi

2

If you simulate a bulk lattice at low temperature (so it remains a solid
with no defects), and compute the MSD (via compute msd), then
you will see it to go to a small steady-state value that represents
this amplitude.

Steve

3

Thanks Steve,
That was exactly what I was looking for.

Regards,
Nandu Gopan,
M.Tech Nanotechnology,
School of Nanoscience and Technology,
NITC