[CP2K-user] Convergence with CUTOFF

[coko312]

Dear all,

I am a cp2k-DFT beginner so the answer to this question may seem obvious to 
you, but it would help me a lot!

I try to converge the total energy of a single Na+ ion as a function of the 
energy CUTOFF, but the convergence is very slow and even using 900 Ry is 
not fully satisfactory for what I want to do. Even with no experience with 
this system, I would not expect the computation to last several hours on a 
single processor for only 1 atom. I have attached my input-output files. 
What should I modify to be able to use a more reasonable CUTOFF? 

NB : the computation is non-periodic because I would like, next, to add 
more atoms around to compute interaction energies between these little 
"clusters" and various types of molecules.

Best,
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