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a-TDEP: Temperature Dependent Effective Potential for Abinit - Lattice dynamic properties including anharmonicity.
François Bottin
Jordan Bieder
Johann Bouchet
Published in:
Comput. Phys. Commun. (2020)
Keyphrases
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neural network
information systems
feature selection
web services
data structure
search algorithm
computationally efficient
structural properties
lattice structure