[CP2K-user] [CP2K:20150] The problem of basis set selection for molecular dynamics of Mg2+ aqueous solutions

[xyfeng]

Dear all, I am trying to use cp2k for the molecular dynamics of Mg2+ 
solution systems, but the calculated forces of Mg are too large and not 
very good.I suspect that it's because the basis set I chose 
(DVZP-MOLOPT-SR-GTH) doesn't describe larger systems well.
So, Is there any recommended basis sets suitable for magnesium ion solution 
system that can balance accuracy and cost?

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