[CP2K-user] [CP2K:20440] Strange Electronic density on regular grids for Na

[Stanislav Bachurin]

Good evening, cp2k experts. I encountered an unusual artifact: while 
optimizing the geometry of various ions in an aqueous environment (using 
SCRF methods), I found that for the Na cation, the electronic density on 
regular grids is -7.9999991679. This deviation occurs in all models where 
the Na+ ion is used. This problem does not occur for lithium and potassium 
(-2.0000000000 and -8.0000000000, respectively). Is this a serious 
artifact, or can it be ignored?

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