Keyword category:

Properties, Output Controls: Enhanced Output

Description

The spin matrix, defined as the difference between the alpha and beta density matrices in a UHF SCF procedure, will be printed. If the system has a closed shell ground state (e.g. methane with UHF) the spin matrix will be null. If SPIN is not requested in a UHF calculation, then the diagonal of the spin matrix, that is the spin density on the atomic orbitals, will be printed.

See also: