ious
density) for the first 2 iteration.  In addition, if the HOMO - LUMO
gap is small and the Fock matrix somewhat diagonally dominant, then
level-shifting is automatically initiated.  There are a variety of ways
to customize this procedure to whatever is desired.

<P>
An alternative optimization strategy is to specify, by using the change 
in total energy (from iterations when N and N-1), when to turn
damping, level-shifting, and/or DIIS on/off.  Start and stop keywords for
each of these is available as,
