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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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