CFOUR_GEO_CONV

Specifies the convergence criterion for geometry optimization. The optimization terminates when the RMS gradient is below \(10^{-N}\) Hartree/bohr, where \(N\) 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