SCM proudly announces the 2005 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 2004 version include:
- Significant improvements in ADF graphical user interface, more powerful visualization and input builder
- Delocalized coordinates and Nudged Elastic Band methods for geometry optimization and transition state search
- Faster gradients for large molecules and faster analytic second derivatives (for VWN functional)
- Open-shell TDDFT, including spin-flip excitations
- More accurate numerical frequency calculations
- Several other enhancements
Initially, ADF2005 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.