[QE-users] Restarting MD from VC-MD

[Lance Kavalsky]

Hello all,


I would like to run a VC-MD simulation, and then using the atomic positions, velocities, etc.., would like to restart as an MD simulation. Is this possible? In other words, is it possible to restart a VC-MD simulation with everything the same except now the cell parameters are fixed?


If it is possible, what would be the steps required for this?


Thanks so much.


Best,

Lance Kavalsky

University of Toronto
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