ADF-GUI
A new module, ADFjobs, facilitates remote job submission and management for ADF and BAND jobs.
Other ADF-GUI improvements:
atomic data (geometrical) shown, export of movies, energy graphs, import/export of cube files,
usability and design improvements.
BAND-GUI
BAND-GUI now contains a crystal and surface builder.
BAND
BAND can now perform geometry optimizations on periodic systems, has improved speed, and contains several extensions to its Time-Dependent DFT module.
ADF
ADF contains improved methods for geometry optimizations, transition state searches, and SCF convergence.
Vibrational Circular Dichroism and geometry optimizations with spin-orbit coupling have been implemented.
A parallel Windows version is introduced. The MO6 xc energy functional is available.
A number of efficiency improvements, and important and less important bug fixes have been applied.
