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Lattice dynamics calculations based on density-functional perturbation theory in real space.

Honghui ShangChristian CarbognoPatrick RinkeMatthias Scheffler
Published in: Comput. Phys. Commun. (2017)
Keyphrases
  • perturbation theory
  • lattice structure
  • search space
  • neural network
  • probabilistic model
  • metaheuristic
  • high precision