I am trying to optmize a complex with iron but, as the title says, the SCF is not converging. What keyword can I use to help to do that?
***** FAILURE TO LOCATE STATIONARY POINT, SCF HAS NOT CONVERGED
UPDATED HESSIAN, GEOMETRY, AND VECTORS WILL BE PUNCHED FOR RESTART
PS: I am sending the input file attached.
|This message contains the 6 kb attachment|
[ phtalo-fe.inp ]