Accuracy and Efficiency

Slater type basis sets, density fit and frozen core approximation

ADFinput: Select 'Main Options' from the Menu on the right hand side. Select the basis set from the 'Basis Set' Menu. Select the frozen core from the 'Core Type' Menu.
ADFUsersGuide: STO [1,2], density fit [1], frozen core approximation [1].

Integration scheme

ADFinput: Select 'Main Options' from the Menu on the right hand side. Enter the value for the accuracy of the integration grid in the menu 'Integration Accuracy'.
ADFUsersGuide: accuracy [1].

Parallelization

ADFjobs: See ADF-GUI Reference Manual.
ADFUsersGuide: parallelization [1].

Linear scaling / distance cut-offs

ADFinput: Select 'Technical' from the 'Details' Menu.
ADFUsersGuide: linear scaling [1].

 

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