Bug fix version ADF2006.01b released

SCM proudly announces the 2006 release of ADF, the universal density functional package for chemists. We warmly recommend all ADF users to switch to this new version.

Some major improvements with respect to the 2005 version include:

  • First release of BAND-GUI to build BAND input and visualize band structures and orbitals
  • ADF-GUI improvements:
    • fragment support
    • easy building of inorganic compounds
    • QM/MM calculations on proteins
    • visualization of spin-orbit results
    • tutorials for all these options
  • Analytic second derivatives for fast and robust frequency calculations at the GGA level
  • Hybrid functionals (e.g. B3LYP) supported during SCF
  • Some other new features in ADF:
    • spin-orbit coupled TDDFT
    • frozen-density embedding
    • Resonance Raman
    • semi-empirical dispersion correction.

Initially, ADF2006 will be available for PC Linux (Redhat 9, PVM), Windows, and Mac OS X. Other platforms will be added as soon as they have been properly tested.

More information and useful links: