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phonopy
Remove constraint Software: phonopy
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rocksalt-AgBr
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Phono3py input data to calculate lattice thermal conductvities for rocksalt-AgBr
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-AgBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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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-AgBr
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NIMS
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Dataset
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open
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Creative Commons BY Attribution 4.0 International
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Data origin
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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