SCFLOCAL 

Description

SCFLOCAL causes localized molecular orbitals to be used instead of canonical orbitals within the self-consistent field procedure. Localized orbitals represent a transformed set of canonical orbitals whose atomic orbital components are more like those expected from an intuitive valence-bond picture of the system. See the section called “LOCALIZE” for a more complete description of this method. SCFLOCAL differs from LOCALIZE in that the localized orbitals are self-consistently optimized.

C.I. jobs (implicit or explicit) with SCFLOCAL and analytic gradients is not currently supported. Use DERINU to force numerical derivatives.

See also:

LOCALIZE