C.3.3 SCF Control
(February 4, 2022)
BASIS2 |
BASISPROJTYPE |
DIIS_PRINT |
DIIS_SUBSPACE_SIZE |
DIRECT_SCF |
INCFOCK |
MAX_DIIS_CYCLES |
MAX_SCF_CYCLES |
PSEUDO_CANONICAL |
SCF_ALGORITHM |
SCF_CONVERGENCE |
SCF_FINAL_PRINT |
SCF_GUESS |
SCF_GUESS_MIX |
SCF_GUESS_PRINT |
SCF_PRINT |
THRESH |
THRESH_DIIS_SWITCH |
UNRESTRICTED |
VARTHRESH |
S2THRESH |
|