SCF_INITIAL_ACCELERATOR

Use a method to accelerate initial SCF convergence? Use NONE for DIIS alone (if enabled) and EDIIS or ADIIS to have both the chosen accelerator and DIIS (if enabled). For restricted-open references, EDIIS and ADIIS have no effect.

  • Type: string

  • Possible Values: NONE, EDIIS, ADIIS

  • Default: ADIIS