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.