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RelativisticCorrection

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RelativisticCorrection

Section Hamiltonian
Type integer
Default non_relativistic

The default value means that no relativistic correction is used. To include spin-orbit coupling turn RelativisticCorrection to spin_orbit (this will only work if SpinComponents has been set to non_collinear, which ensures the use of spinors).

Options:

non_relativistic:
No relativistic corrections.
spin_orbit:
Spin-orbit.
scalar_relativistic_zora:
scalar relativistic ZORA Hamiltonian
fully_relativistic_zora:
fully relativistic spin-orbit ZORA Hamiltonian including SR and SO terms

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