ADF2008 released

SCM proudly announces the 2008 release of ADF.

Some highlights of the new functionality include:

ADF and ADF-GUI

• ultrafast Bader AIM atomic property calculations
• dispersion-corrected XC functionals by Grimme implemented
• density functional tight binding (DFTB) module
• DFTB in ADF and (external) MOPAC used for pre-optimization
• life time effects in polarizabilities, magnetizability
• various speed-ups and parallel scaling improvements
• Franck-Condon factors calculations is available using new fcf module
• the improved geometry optimizer now default
• multiple jobs and their results can be easily managed and visualized now with ADFprep
  and ADFreport, both available via the command line and ADF-GUI
• ADF-GUI: only the non-default options will now appear in the input file; faster zooming and navigation;
  more visualization enhancements; interface for writing GAUSSIAN CUBE files

BAND and BAND-GUI

• transition state search, constraints in geometry optimization
• numerical determination of frequencies
• ESR A-tensor and g-tensor
• meta-GGA functionals and PBEsol during SCF and analytical gradients
• Histogram-like DOS, BANDdos module for visualization of DOS

COSMO-RS and COSMO-RS GUI

• QM prediction of chemical engineering thermodynamics
• activity coefficients, solubilities, partition coefficients,
  excess energies, boiling points, vapor-liquid diagrams

Initially, ADF2008 will be available for PC Linux (RH9 or later), Windows (Vista, XP, 2000), Mac OS X (Intel), and PC Linux 64 (x86-64). Other platforms will be added as soon as they have been properly tested.

More information and useful links:

• Request a free trial for ADF2008
• Download ADF2008 now!
• View complete text description of changes in ADF2008