[CP2K-user] How to save wfn restart file

Dawid das add... at googlemail.com
Sun Oct 20 16:20:10 UTC 2019


Dear All,

I am performing DFT/MM molecular dynamics simulations. I'd like to save the 
wfn 
restart file after the last step of my simulation.

How do I do it?

Best wishes,
Dawid Grabarek
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