[QE-users] Atomic velocities units

[Nicola Marzari]

On 10/08/2021 11:39, Lorenzo Paulatto wrote:
> The velocities are both printed in any place, but it is not the first 
> time I get this request, maybe it could be added in the future. That 
> said, they are trivial to compute v(t)=(r(t-1)-r(t))/dt
> 
> -- 
> Lorenzo Paulatto

quick one - maybe better as v(t)=(r(t+1)-r(t-1))/(2 dt) (note also the sign)

			nicola



-- 
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, SNSF
Head, Laboratory for Materials Simulations, Paul Scherrer Institut
Contact info and websites at http://theossrv1.epfl.ch/Main/Contact