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So far we have fast implementations for 3D periodic systems as well as $N^2$ scaling calculator for real space systems. We might want to consider including additional periodic cases and probably more important a faster real space algorithm that is better suited for large systems with free boundary conditions.
So far we have fast implementations for 3D periodic systems as well as$N^2$ scaling calculator for real space systems. We might want to consider including additional periodic cases and probably more important a faster real space algorithm that is better suited for large systems with free boundary conditions.
A couple of possible extensions:
Regarding the first two there is also a shorter introduction in the Appendix of the espresso docs.
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