General introduction

This document describes some programs that can be run after earlier ADF calculation(s) have produced the required result file(s), such as TAPE21. The ADF program itself also enables the calculation of various molecular properties (excitation energies and (hyper)polarizabilities to name a few) that are not mentioned here. Please consult the ADF User's Guide to check for information on the property in which you are interested, if the underlying document does not contain the required information.

The documentation of the ADF program also includes information on ADF utilities. Many of these also use ADF result files, but these executables perform more technical tasks than the programs described here, such as visualization and handling of the output.

There is some overlap in functionality between programs in the ADF suite, regarding the NMR and ESR properties. Each implementation has its own merits and deficiencies. The differences are mentioned in the appropriate places in the documentation, in order to let the user decide which option is most suitable for his problem.