SAPT_DFT_GRAC_SHIFT_B¶
Monomer B GRAC shift in Hartree. To automatically compute prior to SAPT(DFT), do NOT set this option but set SAPT_DFT_GRAC_COMPUTE to “SINGLE” or “ITERATIVE” as described below.
Type: double
Default: 0.0
Monomer B GRAC shift in Hartree. To automatically compute prior to SAPT(DFT), do NOT set this option but set SAPT_DFT_GRAC_COMPUTE to “SINGLE” or “ITERATIVE” as described below.
Type: double
Default: 0.0