[CP2K-user] Energy calculation using CP2K vs Gaussian

[Ramanish Singh]

Hi,

I am trying to find the energy of a four atoms in CP2K using BLYP-D3 
functional. However, it is taking very long as compared to a similar 
calculation in Gaussian. 
Moreover, I am confused about why we need to specify the CELL size in CP2K 
when the calculation is not non-periodic.
I am attaching my input file with this post and would really appreciate if 
someone can tell me what's wrong in it. 

Thanks,
Ramanish
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