SOStrength

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SOStrength

Section Hamiltonian
Type float
Default 1.0

Tuning of the spin-orbit coupling strength: setting this value to zero turns off spin-orbit terms in the Hamiltonian, and setting it to one corresponds to full spin-orbit.

This variable is parsed both for RelativisticCorrection = spin_orbit and for fully_relativistic_zora. In the latter case it scales the ZORA spin-orbit term only, so SOStrength = 0.0 reproduces scalar_relativistic_zora exactly. This is the cleanest way to separate the scalar-relativistic and the spin-orbit ZORA contributions within a single code path.


Source information

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