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Table of Contents
Preface
ADF 2007.01
1 GENERAL
1.1 Introduction
1.2 Technical remarks, Terminology
2 INPUT
2.1 Introduction
2.2 Main Options
2.3 More Options
3 Recommendations, problems, Questions
3.1 Recommendations
3.2 Trouble Shooting
3.3 Questions
4 FILES
4.1 Parallel Execution
4.2 Standard output
4.3 Log file
4.4 TAPE21
4.5 TAPE13
5 RESULTS
5.1 Properties
5.2 Plots: Density, Potential, Orbitals
6 APPENDICES
6.1 Database
6.2 Elements of the Periodic Table
6.3 Symmetry
7 References
Keywords
Index