[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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