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Poisson

Options for the Poisson solver.

model#

model: Literal['point-charge', 'orbital'] = 'point-charge'

max_iterations#

max_iterations: PositiveInt = 100

convergence_tol#

convergence_tol: PositiveFloat = 1e-05

mixing_factor#

mixing_factor: PositiveFloat = 0.1

rho_shift#

rho_shift: NonNegativeFloat = 1e-08

cg_tol#

cg_tol: PositiveFloat = 1e-05

cg_max_iter#

cg_max_iter: PositiveInt = 100

num_orbitals_per_atom#

num_orbitals_per_atom: dict[str, int]