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General
Input, execution, and output
Input
Execution
Structure of the Output
Coordinates, Basis sets, Fragments
Model Hamiltonians
Structure and Reactivity
Gradients, Hessian, Thermodynamics
Spectroscopic properties
Transport properties
Analysis
Accuracy and Efficiency
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ADF
Documentation
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ADF
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Input, execution, and output
Input, execution, and output
ΒΆ
Input
General remarks on input structure and parsing
Keys
Blocks
Including an external file
Units
Title, comment
Amsification of ADF in ADF2020
Input parsing changes in ADF2018 and later
Execution
Structure of the Output
Job Characteristics on standard Output
Log file, adf.rkf, TAPE13