It is my great pleasure to announce that VNL-ATK 2014.1 is now available for
download.
NOTE: If you already installed 2014.0 (or any of the preview releases called a1,b2,rc1, etc), it's important to update to 2014.1 since
several bugs were fixed.
The new release introduces a wide variety of new and improved features. For more details, see the
complete release letter. The links below go to specific tutorials on some of the new topics.
- A new module for empirical potentials, called ATKClassical, along with several updates to the molecular dynamics framework and integration with the ATK phonon transport capabilities.
- Also support for plotting LAMMPS output!
- Noncollinear spin upgraded and spin-orbit interaction added, both for ATK-SemiEmpirical and ATK-DFT.
- New capabilities especially aimed at semiconductor materials (like InAs), as well as metal-semiconductor interfaces.
- Several performance improvements, to reduce both calculation time and memory consumption, and to improve the graphical capacity of VNL. The new code is 35-40% faster than ATK 13.8, and even more when using some of the new special algorithms for particular simulations. The new graphics engine can build 10,000+ atom systems and visualize results like MD trajectories with 1M+ atoms.
- Integration with VASP
- Also some support for Quantum Espresso, GPAW, LAMMPS, Materials Studio added
- Mac OS X version
- And many, many other nice things – see the complete release letter for additional details!
