[CP2K-user] How to save wfn restart file

Dawid das add... at googlemail.com
Mon Oct 21 14:07:48 UTC 2019


I found the answer here

https://groups.google.com/forum/#!searchin/cp2k/wfn$20restart%7Csort:date/cp2k/5lsLEPaPx3g/pgMdVy1UDAAJ

W dniu niedziela, 20 października 2019 18:20:11 UTC+2 użytkownik Dawid das 
napisał:
>
> 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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