Release 2007.01

Compared to the 2006 release, the 2007 version offers

  • Analytical energy gradients
  • Geometry optimization
  • Dielectric function for metals
  • Vignale Kohn frequency-dependent kernel
  • Improved defaults
  • Distance effects for fit functions
  • Fixes for some rare-earth basis sets and new TZP basis set
  • Optimization of some key routines: better peak performance

 

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