[CP2K-user] [CP2K:13448] Re: Displaying restart file

[Fabian Ducry]

Are you running just an ENERGY_FORCE calculation with CP2K and perform the 
optimization/MD in ASE? CP2K does not print a restart file for ENERGY_FORCE 
calculations, because there is no change in the coordinates. ASE should 
have all the information to restart the simulation.

Fabian
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