|
    
OUT
The sub key Out
controls printed output. Its options specify the details by their (optional)
presence. The following OutOptions are recognized (Default ISO):
All Implies all the other options except for 'ISO', which may be
specified in addition.
ISO Isotropic shielding constants
Tens Shielding tensors
Eig Eigenvectors
U1 The U1 matrix
F1 The first order change in the Fock matrix
S1 The first order change in the Overlap matrix
AOP The paramagnetic AO matrix (= the matrix in the representation of
elementary atomic basis functions)
AOD The diamagnetic AO matrix
AOF The Fermi-contact AO matrix
REFS Literature references
INFO General information
|