Name

SCFMAX — Set limit on number of SCF iterations to specified value.

Synopsis

 SCFMAX=n
			

Description

This keyword changes the default number of iterations in the SCF procedure. The current AMPAC default is 100 cycles initially. If further difficulty is experienced in the SCF procedure and other convergers are called into play, an additional 200 cycles are allowed. The default combination of cycles and methods should be sufficient for most cases. Manually altering SCFMAX should only be used as a last resort to obtain SCF convergence. See Chapter 4, Computational Procedures for a description of the SCF procedure. SCFMAX replaces the obsolete keyword ITRY in AMPAC 8.

Abbreviation:

none

Requires:

none

Default value:

100