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Phonopy

  • Openness:3 ★★★
  • Document quality:3 ★★★

Software to calculate physical quantities related to phonon in solids from result calculated using first principles calculation software. Results calculated from first principles calculation software such as VASP and Wien2k are used as an input.

Information
Last Update:2024/10/11

Official site

https://github.com/phonopy/phonopy

License

New BSD License (from version 1.3)

Availability

Linux (Ubuntu, Fedora, etc.); Mac OS X
Core Developers

Atsushi Togo (Center for the Promotion of Interdisciplinary Education and Research, Kyoto University)
Target substance/model

Crystals
Physical quantities that can be computed

Phonon scattering, state density, specific heat, Grueneisen constant, etc.
Methodology

Phonon scattering
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