[CP2K-user] [CP2K:20547] SETUP for AIMD

[Matteo]

 have other two questions about ab-initio MD.
1)I have a box with around 200 atoms of a ionic liquid (a cluster of three 
neutral couples). Which combination of DFT Functional and basis set do you 
suggest for achiving a fast Ab initio MD to arrive at around 30 ps ?
2)How parallelize efficiently CP2K. It is better OpenMP or a combination 
with MPI ?
I attach also my setup and I am open to all suggestions.

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