Coordinates, Basis sets, Fragments

See also:

ADF-GUI tutorial: building molecules , basis set effects , fragments

• Atomic coordinates
  • Cartesian
  • Z-Matrix
  • Orientation of Local Atomic Coordinates
  • Symmetry Key
• Basis sets and atomic fragments
  • STO basis sets
  • Available basis sets
  • The Basis Key
  • Automatic mode
  • Create mode
  • Ghost Atoms, Non-standard Chemical Elements
  • Nuclear Model
• Molecular fragments
  • Fragment mode
  • Fragment files