
CFOUR_GEO_CONVΒΆ
Specifies the convergence criterion for geometry optimization. The optimization terminates when the RMS gradient is below
Hartree/bohr, where
is the specified value. PSI4 Interface: Geometry optimizations run through PSI (except in sandwich mode) use PSI’s optimizer and so this keyword has no effect. Use optking keywords instead, particularly G_CONVERGENCE =CFOUR, which should be equivalent except for different internal coordinate definitions.
- Type: integer
- Default: 5