Phonopy 1.11.2

... 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 381
Filesize 2.70 MB
Requirements
Installation Instal And Uninstall
Keywords phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
Users' rating
(0 rating)
PhonopyMathematicsMac OS X
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Phonopy

1.11.2 download

... 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 ... WIEN2k or VASP). In the post-process, the atomic forces are collected and the phonon properties are calculated. ...