sign of hartree potential

labicia lab... at
Mon Feb 23 10:31:18 UTC 2015

Dear all,
analyzing an Hartree Cube file generated by CP2K it seems that around atoms 
expected to have positive partial charge (in a classical picture) we get a 
negative hartree potential while around  expected negative partial charges 
we get a positive potential.

1) Does this sing inversion really exists?
2) Is it used throughout CP2K computations or only in printing Hartree 
3) Is this sign convention common in ab-initio computations?

Thank a lot for your attention,
Marco and Andrea
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