Role of the workpackages
- Linear scaling and wavelets (WP1)
- Properties of adaptive and non-adaptive wavelet schemes (WP2)
- Linear scaling of the self-consistency (WP3)
- Real space pseudo-potentials (WP4)
- Software engineering of ABINIT (WP5)
Visualization of the influence of the different workpackages on the CPU time of a density functional electronic structure calculation. WP1 and WP3 bring down the scaling from cubic to linear. WP4 eliminates a fraction of the cubic parts and is therefore a prerequisite for overall linear scaling. WP2 and WP5 finally reduce the prefactors and thus bring down the cross over point.