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Full SCF
During a geometry
optimization the SCF convergence criterion is relaxed as long as the geometry
has not yet converged. The value actually in effect depends on the current
maximum (Cartesian) gradient as printed in the geometry update section. The
effective convergence criterion is kept between the primary (final) and
secondary criterion respectively which are both controlled by the key
SCF (subkey convergence). The key FULLSCF turns this feature
off: the primary criterion will apply always.
FULLSCF
The same effect is achieved by specifying
the secondary criterion (key SCF) to be the same
as the primary one.
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