Standard output has been restructured a bit to separate the distinct main parts more clearly: general characterization of the run, building info (fragments, basis sets), computational progress, and results. These main sections are controllable with PRINT keys.
PRINT keys/options EIGSFO and EIGCFSFO have been removed. A general (EPRINT) option SFO is available to address all SFO-related output switches.
For hints to suppress large parts of printed output see the User's Guide.
Printed Voronoi Charge analysis: results are printed with opposite sign wrt ADF2.0: a net total negative charge (electrons!) is now printed negative. Previously: positive (i.e.: effectively counting the number of electrons). In addition, the "Voronoi Deformation Density" is printed, in the last column of the table.
In a Frequencies run the computed Force Constants Matrix is by default printed on standard output.
