AO_BASIS


The algorithm to use for the \(\left\langle VV||VV\right\rangle\) terms If AO_BASIS is NONE, the MO-basis integrals will be used; if AO_BASIS is DISK, the AO-basis integrals stored on disk will be used; if AO_BASIS is DIRECT, the AO-basis integrals will be computed on the fly as necessary. NB: The DIRECT option is not fully implemented and should only be used by experts. Default is NONE. Note: The developers recommend use of this keyword only as a last resort because it significantly slows the calculation. The current algorithms for handling the MO-basis four-virtual-index integrals have been significantly improved and are preferable to the AO-based approach.

  • Type: string
  • Possible Values: NONE, DISK, DIRECT
  • Default: NONE