Author Topic: ATK 2014 released  (Read 2633 times)

0 Members and 1 Guest are viewing this topic.

Offline Anders Blom

  • QuantumATK Staff
  • Supreme ATK Wizard
  • *****
  • Posts: 5012
  • Country: dk
  • Reputation: 85
    • View Profile
    • QuantumATK at Synopsys
ATK 2014 released
« on: October 12, 2014, 20:57 »
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!
« Last Edit: October 21, 2015, 12:06 by Anders Blom »