SCM proudly announces the 2004.01 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 2003 version include:
- New modules for the ADF graphical user interface, now more user-friendly than ever
- Various improvements for geometry optimizations and (analytic) Hessian calculations
- Availability of hybrid xc energy functionals, such as B3LYP
- Much new functionality: chiral optical properties, NBO interface, many speed-ups, …
- Native Windows version, easy to install and use
- Approximately factor two speed-up for PIV, Xeon, and similar machines