[CP2K-user] Generating wfn file at conclusion of MD simulation

[Jerry Tanoury]

Hello forum,
I am running an initial equilibration step (NVE) for a MD NPT production 
run.  I would like to generate a wfn file at the conclusion of the 
equilibration so I can start the NPT run as a "restart" of the NVE.  First, 
is that a logical way to proceed for such a set of experiments?  Second, I 
am a little confused as how to print the wfn file ONLY after the MD 
equilibration has completed.  I have attached the input file for the 
equilibration step.

Thank you for the help,
Jerry    
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