Name

SCFPRT — Monitor convergence in self-consistent field procedure.

Synopsis

 SCFPRT 

Description

When SCFPRT is specified, a one line summary of each SCF cycle is written to the output file. The output information includes the step number, the method used, the heat of formation, and the change in the heat of formation. This is useful for monitoring the convergence of the SCF procedure. Note: for large jobs and multi-stage jobs, SCFPRT may generate considerable output. SCFPRT replaces the obsolete keyword PL in AMPAC 8.

Abbreviation:

SCFP

Requires:

none

Default value:

none

See also:

PRINT.