Gaussian 03 Online Manual | |
SparseUse sparse matrix storage for performance enhancement of large calculations (above around 400 atoms) [34]. The keyword's option allows you to specify the cutoff value for considering matrix elements to be zero. Loose Medium Tight N Energies and gradients for AM1, Hartree-Fock and DFT methods (closed shell calculations). It is useful for AM1 calculations of more than 200 atoms. This keyword may also be used within method specifications for ONIOM layers. |