ATK 11.2 is is a major update compared to ATK 10.8 (not to mention 2008.10), and we urge all users to upgrade.
For more detailed information on new features etc, see the
release letter.
Risk-free upgradePlease note that upgrading from 10.8 to 11.2 is <i>risk free</i>, as there is 100% compatibility with 10.8 input and output (NC) files. Thus you will be able to enjoy the improved performance, not least memory-wise, and new features like transmission pathways and classical potentials, without worrying about upgrading your scripts etc.
A compact list of some new features include
- Improved performance and lower memory consumption
- Preconditioners, a new Poisson solver, and scattering states
- LDOS
- Transmission eigenchannel analysis
- Transmission pathways (local currents)
- Complex band structure
- Improved optimization via stress
- GUI updates
- Ghost atoms
- Molecular dynamics
- New engines: ATK-Classical and ATK-PlaneWave
We hope you all will enjoy ATK 11.2, and look forward to your feedback, and not least requests for new features in future versions!
