SCF_INITIAL_ACCELERATOR¶
Use a method to accelerate initial SCF convergence? Use
NONE
for DIIS alone (if enabled) andEDIIS
orADIIS
to have both the chosen accelerator and DIIS (if enabled). For restricted-open references,EDIIS
andADIIS
have no effect.
Type: string
Possible Values: NONE, EDIIS, ADIIS
Default: ADIIS