The user documentation for Hibridon
The flag AIRYFL
should be set to
If AIRYFL
is .FALSE., then the parameters which govern the Airy integration (AIRYFL
, TOLAI
, RINCR
and RENDAI
are assigned the following values:
PRAIRY
= .FALSE.TOLAI
= 1.RINCR
= 1.RENDAI
= RENDLD
Note that the last assignment insures that if AIRYFL
= .FALSE., then the CC equations are integrated from RSTART
to RENDLD
only.
If the flag PRAIRY
is set .TRUE., then at each step of the Airy integration the values of RNOW (the mid-point of the current interval), DRNOW
(the width of the current interval), CDIAG
(the maximum estimated diagonal correction), and COFF
(the maximum estimated off-diagonal correction) are printed out. The definition of CDIAG
and COFF
is explained in M. H. Alexander, J. Chem. Phys. 81, 4510 (1984).
⚠️ Do not set AIRYFL
and LOGDFL
both .FALSE.