Sparse

The Sparse keyword says to use sparse matrix storage for performance enhancement of large calculations (above around 400 atoms) [Daniels97]. The keyword's option allows you to specify the cutoff value for considering matrix elements to be zero.

See the Program Development-Related Keywords for options to this keyword.

Loose

Use loose cutoffs: 5.0^-5

Medium

Use medium cutoffs: 5.0^-7

Tight

Use tight cutoffs: 1.0^-10

N

Set the cutoff to 10^–N

None

Overrides the default of Sparse for ONIOM layers.