Model Hamiltonians

XC energy functionals and potentials

ADFinput: Select 'XC Functional' from the 'Model' Menu. Select the desired SCF potential from the 'xc potential in SCF' menu. Select for METAGGA or hybrid functional energies after SCF the corresponding box
ADFUsersGuide: XC [1].

Relativistic effects (ZORA and spin-orbit coupling)

ADFinput: Select 'Relativity' from the 'Model' Menu.
Select 'None', 'Scalar, or 'Spin-Orbit' from 'Level of relativistic theory' menu.
ADFUsersGuide: relativity [1].

Solvents and other environments

ADFinput: COSMO: Select 'Solvation' from the 'Model' Menu. Select the checkbox 'Include solvation'.
ADFinput: QM/MM: Select 'Protein' from the 'Model' Menu. Select the 'Select' from the menu 'PDB-file'.
ADFinput: DRF and FDE: no direct GUI support.
ADFUsersGuide: COSMO [1], QM/MM [1,2], DRF [1], FDE [1].

Homogeneous electric field and point charges

ADFinput: Select 'Electric field' from the 'Model' Menu. Enter the values of the homogeneous electric field in the menu 'Electric field - '. Enter the coordinates and values of the point charges in the text box.
ADFUsersGuide: EField [1]