ADF2007 released

SCM proudly announces the 2007 release of ADF.

The improvements are presented with pictures in New in ADF2007 (PDF, 1.1 MB)
Some major improvements include:

ADF improvements

Improved Optimization in delocalized coordinates
Frequency scan for analytic frequencies
Fast Raman intensities for selected modes
Transition state search: partial Hessian and improved NEB
Spin-orbit gradients
Vibrational Circular Dichroism (VCD) spectra
Environment modeling - Frozen Density Embedding (FDE)
Environment modeling - QUILD
New SCF convergence option for problematic cases
MO6 xc energy functionals

BAND improvements

Geometry optimization for periodic structures
Time-dependent DFT extensions (metals, spin-orbit effects, Vignale-Kohn functional)
Linear scaling and other speed-ups
New TZP basis, improvements for lanthanide basis sets

ADF-GUI improvements

New ADFjobs module for remote job control
Additional output visualization options
Usability and design improvements

BAND-GUI improvements

Surface and crystal builder

Supported platforms, technical

Parallel Windows version for multi-CPU or multi-core machines
HP-MPI included in ADF distribution for various cluster configurations

Initially, ADF2007 will be available for PC Linux (RH9 or later), Windows (Vista, XP, 2000), Mac OS X (Intel and PowerPC), Itanium2 with Linux, IBM Power with Linux, and PC Linux 64 (x86-64). Other platforms will be added as soon as they have been properly tested.