Home Publications QuantumWise News ATK 2010.02 released

Meet us at...

Our Japanese representative will attend the 42nd Fullerenes-Nanotubes-Graphene General Symposium in Tokyo, 6-8 March.


If you plan to attend the 66th annual meeting of the Physics Society of Japan, held 24-27 March in Kwansei-Gakuin University, don't miss our poster on thermoelectric properties of graphene (Seebeck coefficient etc).


We will have a booth in the exhibit of the Graphene 2012 conference in Brussels, Belgium, 10-13 April.


We plan to attend the 15th International Workshop on Computational Electronics (IWCE) in Madison (Wisconsin, USA), 22-25 May.

ATK 2010.02 released PDF Print E-mail
Friday, 12 March 2010 00:00

Finally runs on Redhat - and has forces for DFT!

 

Key updates:

  • Support for Redhat-based Linux systems
  • Forces and relaxation for DFT (only command-line support)
  • Direct (drag-and-drop) import of CIF and XYZ files
  • Some parallelization (transmission and band structure)
  • Calculate and visualize molecular eigenstates
  • GPAW updated to version 0.6

As usual, you can get the release from the download page!

For those upgrading from 2009.xx, see the 2009.12 release letter for more detailed information about new features etc.

As before noted for the 2009.11 release, ATK-DFT 2010.02 is not a complete replacement of ATK 2008.10, as it is still missing a few key features. Therefore it is considered an alpha-version, while VNL hereby is released in another beta-version.

 

Addendum

The original build for this release was 3933. The 4038 build fixes some problems with FFT and relaxations.


 
 
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