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Standard output
ADF is a program that lends itself particularly well for
chemical analysis. This is a direct result of the fragment-based approach,
where properties of the molecule are related to the properties of the
constituent fragments, which is precisely how the chemist thinks. Molecular
Orbitals are (optionally) analyzed extensively as how they are composed from
occupied and virtual fragment orbitals. This inherently implies a large amount
of output. Even computations on small molecules may produce startlingly many
pages of output. This is not necessarily so because you can regulate the
production of output in detail. Obviously, some kind of default production of output had to be implemented. The
field of ADF users is so wide and diverse that it is hard to satisfy everybody
as regards this default level of output. Depending on your purposes the
automatic settings, which determine how much output is generated without
instructions to the contrary, may yield boringly many numbers that you
just skip through in search for the one value you're interested in, or it
may be widely insufficient. Therefore, take notice of the possibilities to
regulate output.
Above all, however get familiar with the analysis tools that
adf provides to see in what ways
these may help to interpret your results. In a later chapter a global description
of output is given as it is normally produced. The chapter below gives an
introduction in some of the essential features of ADF, which may be
sufficiently different from what you are used to in other Quantum Chemistry
codes to deserve your attention.
    
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