Next: 19.6.4 Disabling the extra
Up: 19.6 Selecting the optimization
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In addition to the ITERATIONS directive described above, some procedures can be
be disabled more simply using the DONT directive.
code may be
- Do initial CI but don't optimize orbitals.
- Do not optimize the orbitals and CI coefficients (i.e. do only
wavefunction analysis, provided the orbitals and CI coefficients are supplied (see
- Alias for WAVEFUNC.
- Do no wavefunction analysis.