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Phonon calculation
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1.
Implementation strategies in phonopy and phono3py
Description/Abstract:
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software p...
Keyword:
Phonon calculation
Resource Type:
Article
Author:
Atsushi Togo
,
Laurent Chaput
,
Terumasa Tadano
, and
Isao Tanaka
Journal:
JOURNAL OF PHYSICS-CONDENSED MATTER
Date Uploaded:
08/08/2023
2.
MDR phonon calculation database
Description/Abstract:
This is a harmonic phonon calculation database. The data were calculated using the VASP and phonopy codes.
Keyword:
phonopy
,
Phonon calculation
,
phonon DOS
, and
phonon thermal properties
Resource Type:
Dataset
License:
Creative Commons BY Attribution 4.0 International
3.
LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations
Description/Abstract:
Longitudinal-optical (LO) mode phonon branches of KCl and NaCl were measured using inelastic x-ray scattering (IXS) at 300 K and calculat...
Keyword:
IXS measurment
and
Phonon calculation
Resource Type:
Article
Author:
Atsushi Togo
,
Hiroyuki Hayashi
,
Terumasa Tadano
,
Satoshi Tsutsui
, and
Isao Tanaka
Date Uploaded:
01/02/2023
Date Modified:
05/05/2024
4.
First-principles phonon calculations with phonopy and phono3py
Description/Abstract:
Harmonic, quasi-harmonic, and anharmonic phonon properties of crystals are getting to be better predicted using first-principles phonon ...
Keyword:
Phonon calculation
Resource Type:
Article
Author:
Atsushi Togo
Date Uploaded:
01/02/2023
Date Modified:
19/03/2024
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Keyword
Phonon calculation
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4
IXS measurment
1
phonon DOS
1
phonon thermal properties
1
phonopy
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English
3
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IOP Publishing
1
Institute of Physics Publishing
1
The Physical Society of Japan
1
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Article
3
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1
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open
4
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
3
Author
Atsushi Togo
3
Isao Tanaka
2
Terumasa Tadano
2
Hiroyuki Hayashi
1
Laurent Chaput
1
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Journal
JOURNAL OF PHYSICS-CONDENSED MATTER
1