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Program Structure
The mchf program, Figure 6.10
performs data initialization (using
inita() and initr()), data(),
and applies the SCF procedure.
Output data, including the wave function approximation are written
by (output(), summry(), wfn(), eig_out()).
Figure 6.10:
main() of the mchf program: data initialization,
scf() iterations, data output
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Subsections
2001-10-11