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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 397
Filesize 2.70 MB
Requirements
Installation Instal And Uninstall
Keywords phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
Users' rating
(4 rating)
PhonopyMathematicsMac OS X
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... 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 ...

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