r nfock default 10&gt;]) || nodiis] \
              [levlon &lt;real levlon default 0.0&gt;] \
              [levloff &lt;real levloff default 0.0&gt;] \
              [(lshift &lt;real lshift default 0.5&gt;) || nolevelshifting] \
              [rabuck [n_rabuck &lt;integer n_rabuck default 25&gt;]]
</PRE>

<P>
Convergence is satisfied by meeting any or all of three criteria;

<UL>
<LI>convergence of the total energy; this is defined to be when the
  total DFT energy at iteration N and at iteration N-1 dif