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Scalar-relativistic all-electron calculations can be done employing the
Douglas-Kroll-Hess (DKH) Hamiltonian. Implemented for modules dscf and ridft.
- $dkhorder integer
-
switches on DKH calculation of order integer.
- $dkhparam integer
-
selects parametrization of the DKH Hamiltonian. Valid values are 1 (=default), 2, 3, 4,
and 5.
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