ADF 2012.01a subrelease

The 2012.01a subrelease is now available for download for all major platforms (Mac OS, Windows, Linux), and builds for other platforms will become available shortly. Your present ADF2012 license file is also valid for this subrelease. All ADF2012 users are entitled to these bug fixes and we strongly encourage you to install this update. A selection of bug fixes and improvements from the complete changelog:

  • Significant improvement parallel hybrid DFT calculations (less I/O)
  • Bug fix: potential ADF hang when mixing single and multi-core nodes
  • Common gauge collinear spin-orbit coupling meta- and hybrid GGA g-tensor calculations
  • Origin dependence IR intensities fixed
  • Bugs fixed for unrestricted NBO and unrestricted spin-orbit coupling hybrid calculations in ADF
  • Potential problems with symmetry and lattice optimization fixed in BAND/DFTB
  • Visualization improvements periodic systems
  • Remote job monitoring bugs fixed
  • Visualization bugs fixed (MOPAC, k-points, PVDOS, FCF, periodic systems)
  • MOPAC binaries updated
Go to overview

Stay up to date!

Subscribe to our newsletter (5 times a year) to stay up to date about news, job openings, functionality and events such as webinars and workshops!

No sales. No spam. Occasional notifications. Unsubscribe anytime.