PoissonSolverMaxMultipole

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PoissonSolverMaxMultipole

Section Hamiltonian::Poisson
Type integer

Order of the multipolar expansion for boundary corrections.

The Poisson solvers multigrid, cg, and cg_corrected (and fft with PoissonFFTKernel = multipole_correction) do a multipolar expansion of the given charge density, such that ρ=ρmultip.expansion+Δρ\rho = \rho_{multip.expansion}+\Delta \rho. The Hartree potential due to the ρmultip.expansion\rho_{multip.expansion} is calculated analytically, while the Hartree potential due to Δρ\Delta \rho is calculated with either a multigrid or cg solver. The order of the multipolar expansion is set by this variable.

Default is 4 for PoissonSolver = cg_corrected and multigrid, and 2 for fft with PoissonFFTKernel = multipole_correction.


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