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Electronic structure packages: Two implementations of the projector augmented wave (PAW) formalism.

Marc TorrentN. A. W. HolzwarthFrançois JolletDavid HarrisNicholas LepleyXiao Xu
Published in: Comput. Phys. Commun. (2010)
Keyphrases
  • structural properties
  • real time
  • neural network
  • search engine
  • expert systems
  • knowledge representation
  • structural information
  • efficient implementation
  • formal model
  • geometric structure
  • computational properties