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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 DOS, phonon thermal properties, and Phonon calculation
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

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