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phono3py
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rocksalt-KI
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Phono3py input data to calculate lattice thermal conductvities for rocksalt-KI
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Type of work
Dataset
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Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Keyword
Phonon
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rocksalt-KI
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NIMS
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open
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Creative Commons BY Attribution 4.0 International
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simulations
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Author
Atsushi Togo
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VASP
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phono3py
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phonopy
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spglib
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