SCFCRT=n.nn
The default SCF criterion, 0.0001 kcal/mol, is to be replaced by that defined by
SCFCRT=n.nnn.
The SCF criterion is the change in energy in kcal/mol on two
successive iterations. Other minor criteria may make the requirements
for an SCF slightly more stringent. The SCF criterion can be varied from
about 1.0 to 1.D-25, although numbers in the range 0.1 to 1.D-9 will
suffice for most applications.
An overly tight criterion can lead to failure to achieve an SCF, and
the consequent failure of the run. See also
RELSCF