Simulation software for nanoscience

Simulation software for nanoscience

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ATK 12.8.1 bug fix release

Feb 07 2013

The ATK 12.8.1 release fixes a few bugs, mostly harmless, except the one about large NetCDF files. All users should upgrade.

Get ATK 12.8.1 from the Download page!

Fixed bugs

  • Fixed issue with NetCDF files that could become corrupted when they grew large. Also better handling for reading as much as possible from possibly corrupt files. If you have a corrupt NetCDF file which will not open in 12.8.0 (or in 12.8.1), we may be able to salvage it for you. Please contact support in this case.
  • Lattice Parameters widget in the Builder was not always updated properly.
  • Addon Manager, local install could fail, in particular on Linux.
  • Move tool, "Fuse" operation removed too many atoms in a few cases.
  • Bandstructure tick marks were incorrectly normalized. This did not affect actual results, only the relative distance between the symmetry points on the horizontal axis.
  • Issues with Cerium basis set fixed.
  • Undo made Coordinate List switch to Fractional.
  • Supercell could rotate the cell, now keeps orientation. There was nothing wrong with the resulting structure before, but the new behavior is more convenient.
  • Script Generator now supports all elements, also those without basis sets in ATK.
  • Job Manager tooltip now properly shows location of output NetCDF files.
  • VNL tutorial link in Help menu didn't work.Movie threads were not stopped when window closed.
  • Recursion is now the default self energy method everywhere. We recommend using it for most work.
  • + a few more esoteric, small issues which you most likely would never notice.

Improvements and new features

  • Builder performance improvements for device structures.
  • Improved mouse click selection to support users who click very fast (and thereby inadvertently draw a tiny rectangle, instead of clicking in a single point)!
  • VASP Scripter improvements (import of VASP NEB paths to be published separately)
  • Easier to identify when running in demo mode (or where license comes from).
  • LM-X license server wrapper script (see the Installation Guide).
  • New (experimental) plugin: POVRay – make ray-traced pictures of geometries

As always we welcome any and all feedback on the current version of ATK/VNL, as well as ideas and suggestions for new features!