[CP2K-user] SGCP calculation with Pt surfaces

[bri...@gmail.com]

Hi All,
I was reading this paper and realized the second generation CP method could 
be useful for the system I am trying to study (solvated radical species on 
Pt surface). I was wondering if there exists any example inputs, perhaps 
even from this paper, that could lead me in the right direction on how to 
set up the simulation. As of now I've been using BO dynamics with k-point 
sampling, but finding that it is very slow and perhaps not feasible once I 
want to increase my system size. 

*J. Phys. Chem. C* 2018, 122, 42, 24068–24076

https://doi.org/10.1021/acs.jpcc.8b05933

Any help would be greatly appreciated!
Brian

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