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DeltaEFMM

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DeltaEFMM

Section Hamiltonian::Poisson
Type float
Default 0.0001

Dimensionless parameter for relative convergence of PoissonSolver = FMM. Sets energy error bound. Strong inhomogeneous systems may violate the error bound. For inhomogeneous systems we have an error-controlled sequential version available (from Ivo Kabadshow).

Our implementation of FMM (based on H. Dachsel, J. Chem. Phys. 131, 244102 (2009)) can keep the error of the Hartree energy below an arbitrary bound. The quotient of the value chosen for the maximum error in the Hartree energy and the value of the Hartree energy is DeltaEFMM.

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