XC energy functionals and potentials
ADFinput:
Select Main and select the desired SCF potential for 'XC potential in SCF'.
Select for METAGGA or hybrid functional energies after SCF the corresponding box
ADFUsersGuide: XC [1].
Relativistic effects (ZORA and spin-orbit coupling)
ADFinput: Select Main.
Select 'None', 'Scalar, or 'Spin-Orbit' for 'Relativity'.
ADFUsersGuide: relativity [1].
Solvents and other environments
ADFinput: COSMO, SCRF: Select Model → Solvation.
Select the desired method for 'Solvation method'.
Select the desired solvent for 'Solvent'.
ADFinput: FDE, QM/MM, Quild: Multilevel → FDE, ADF → QMMM, ADF → Quild.
ADFinput: DRF, 3D-RISM: no direct GUI support.
ADFUsersGuide: COSMO [1],
SCRF [1],
QM/MM [1],
DRF [1],
FDE [1],
3D-RISM [1],
Quild [1].
Homogeneous electric field and point charges
ADFinput: Select Model → Electric field.
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]
