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Two-component SCF (GHF)

Self-consistent two-component calculations (e.g. for spin-orbit interactions) can be carried out using the module ridft . The following keywords are valid:
$soghf

enforces two-component-SCF calculations; this option is combinable with $rij, $rik and $dft.
$kramers

switches on Kramers-restricted formalism
$gdiis

enforces DIIS for complex Fock operator.



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