QuantumATK Forum
General => News and Announcements => Topic started by: Anders Blom on October 12, 2014, 20:57
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It is my great pleasure to announce that VNL-ATK 2014.1 is now available for download (http://quantumwise.com/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 (http://quantumwise.com/publications/quantumwise-news/item/827#bugs20140).
The new release introduces a wide variety of new and improved features. For more details, see the complete release letter (http://quantumwise.com/publications/quantumwise-news/item/827). The links below go to specific tutorials on some of the new topics.
- A new module for empirical potentials, called ATKClassical (http://quantumwise.com/publications/tutorials/itemlist/category/44-atk-explained), 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 (http://quantumwise.com/publications/tutorials/item/729-spin-transfer-torque), both for ATK-SemiEmpirical and ATK-DFT.
- New capabilities especially aimed at semiconductor materials (like InAs (http://quantumwise.com/documents/tutorials/latest/InAs-2D/index.html)), as well as metal-semiconductor interfaces (http://quantumwise.com/publications/tutorials/item/820-ni-silicide-si-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 (http://quantumwise.com/publications/tutorials/itemlist/category/47-vnl-for-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!