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phono3py
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31.
Phono3py input data to calculate lattice thermal conductvities for rocksalt-MgO
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-MgO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
32.
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-BaSe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-BaSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
33.
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnTe
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
zincblende-ZnTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
34.
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbF
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-RbF
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
35.
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaSb
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-GaSb
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
36.
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-CuI in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-CuI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
37.
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaF
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaF in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-NaF
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
38.
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlSb
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-AlSb in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-AlSb
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
39.
Phono3py input data to calculate lattice thermal conductvities for zincblende-BAs
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
zincblende-BAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
40.
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-ZnO in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-ZnO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
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Phonon
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rocksalt-AgBr
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rocksalt-AgCl
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rocksalt-BaO
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Creative Commons BY Attribution 4.0 International
103
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Atsushi Togo
103
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VASP
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phono3py
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phonopy
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spglib
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