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Phonopy 1.11.2

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	410
Filesize	2.70 MB
Requirements
Installation	Instal And Uninstall
Keywords	phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
Users' rating (5 rating)	PhonopyMathematicsMac OS X Currently 4.60/5 1 2 3 4 5

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Phonopy

1.11.2 download

... calculate atomic-forces using the supercells by your favorite calculator (e.g., WIEN2k or VASP). In the post-process, the atomic forces are collected and the phonon properties are calculated. Force-constants interface ...