What is the velocity unit for atoms object?

ASE
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1

Hello.
I’m trying to run a molecular dynamics (MD) using the velocity from another MD (Lammps).
When I use the velocity from 200 K dynamics in Angstroms/fs unit, the starting temperature of ASE MD is very low (5 K).
I think I might have to change the unit when I explicitly put the velocity in the atoms object. But, I couldn’t find the manual about what kind of unit is used for the velocity in an atoms object.
It would be greatly helpful if I can get any information about the unit and how to convert it into ASE readable unit.
Thank you!

2

Hi @Soonho,

The units including length and time are documented here: Units — ASE documentation

You’ll want to use units.fs for femtosecond.

3

Hello, Hjorth.
So, I’m underestimating the velocity by a factor of 10. It makes sense!
Thank you for making it clear!