Q: The JOBEX script does not stop, although energy and gradient have reached convergence.
A:
If you have switched from internal to cartesian coordinates or vice versa, check that in the control file only the appropriate keyword exists:
$maximum norm of cartesian gradient = 0.85863061E-09
$maximum norm of internal gradient = 0.10462894E-01
in this example, an geometry optimization with cartesian coordinates will run forever since JOBEX also checks for the internal gradient which never will reach convergence...
