Introduction

The ADF package contains two main programs ADF and BAND for calculations on, respectively, molecules and periodic systems and a suite of auxiliary utility and property programs, which are used to prepare special input data or to process results. This manual describes the usage of the utility and other programs. Consult also the User's Guide. You should be familiar with the User's Guide anyway before reading this Utilities document because some concepts from the User's Guide will be assumed known here. Among these are the use, format, and general types of keywords applied in the input files as well as in the input for some of the utilities. Most of the utility programs relate only to ADF, in the current version of the package.

The utilities are installed automatically when the ADF package is installed. See the Installation Manual.

Some of the files that will be mentioned are KF files. A KF file (Keyed-File) is a special type of Direct-Access Fortran file used in programs of the ADF suite. They have a keyword driven organization and can easily be processed with the KF-utilities that come with the ADF package.

Overview

The utilities discussed in this manual are:

• KF utilities: UNIX command-line utilities to process KF files.
• dirac: a program to generate relativistic potentials of the isolated atom, and of its frozen core, if present.
  These are used in an adf calculation when relativistic options are applied.