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Phonopy 1.11.2

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Phonopy is an implementation of post-process phonon analyzer, which calculates crystal phonon properties from input information calculated by external codes, e.g., first-principles calculation code. Phonopy employs a real-space method. Phonopy calculates phonon frequencies from force constants. The force constants are obtained from atomic forces when an atom is slightly displaced in supercell (Parlinsk-Li-Kawasoe method). ...

Author Atsushi Togo
License Freeware
Price FREE
Released 2016-10-23
Downloads 387
Filesize 2.70 MB
Requirements
Installation Instal And Uninstall
Keywords phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
Users' rating
(2 rating)
PhonopyMathematicsMac OS X
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Phonopy

1.11.2 download

... slightly displaced in supercell (Parlinsk-Li-Kawasoe method). In practice, phonopy provides automated pre- and post-processes to calculate the phonon properties, where crystal symmetry is fully included. In the pre-process, you ...