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Bader Analysis (AIM)

GridBasedAIM (block-type)

Invoke the ultra fast grid based Bader analysis [33,34].

GridBasedAIM
{ SmallDensity rhosmall }
{ Iterations n }
{ UseStartDensity true/false }

End

Where rhosmall (default 1e-6) is the value below which the density is ignored. This should not be chosen too small because it may lead to un-assignable grid points. The number n (default 40) determines the maximum number of steps that may be taken to find the nuclear attractor for a grid point. Finally, the analysis can be performed on the startup density rather than on the final density with the UseStartDenstiy sub key.

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