ADF2007 released

SCM proudly announces the 2007 release of ADF.
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.