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Reduction of output
One of the strong points of adf is the analysis in terms of
fragments and fragment orbitals (SFOs)
that the program provides. This aspect causes a lot of output to be produced,
in particular as regards information that pertains to the SFOs.
Furthermore, during the SCF and, if applicable, geometry
optimizations, quite a bit of output is produced that has relevance merely to
check progress of the computation and to understand the causes for failure when
such might happen.
If you dislike the standard amount of output
you may benefit from the following suggestions:
If you are not interested in info about
progress of the computation:
NOPRINT Computation
If you'd like to suppress only the SCF-related part of the computational
report and make the GeometryUpdates related part more concise:
NOPRINT SCF, GEO
(Keep computation on, so
you get at least some info about the GeometryUpdates)
If you don't want to see any SFO stuff:
NOPRINT SFO
To keep the SFO
definitions (in an early part of output) but suppress the SFO-mo
coefficients and the SFO overlap
matrix:
EPRINT
SFO noeig, noovl
END
Note: the SFO-overlap
matrix is relevant only when you have the SFO-MO coefficients: the overlap info
is needed then to interpret the bonding/anti-bonding nature of the various SFO components in an MO.
If you are not interested in the SFO populations:
EPRINT
SFO noorbpop
END
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