Phonopy 1.11.2 freeware

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
Released 2016-10-23
Filesize 2.70 MB
Downloads 785
OS Mac OS X
Installation Instal And Uninstall
Keywords phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
Users' rating
(13 rating)
PhonopyMathematicsMac OS X
Phonopy - Freeware Download Notice

Phonopy Free Download - we do not host any Phonopy torrent files or links of Phonopy on rapidshare.com, depositfiles.com, megaupload.com etc. All Phonopy download links are direct Phonopy download from publisher site or their selected mirrors.

Phonopy freeware - The Latest User Reviews
Phonopy freeware - The Latest Versions History
1.11.2 Oct 23, 2016 New Release TDISPMAT_CIF (--tdm_cif) for CIF output for thermal displacement is added (TDISPMAT_CIF).
spglib update to v1.9.7
FPITCH (--fpicth) is made (FMIN, FMAX, and FPITCH).
Minor update of gruneisen.
Tentatively phonopy.yaml and phonopy_disp.yaml are written when running phonopy.
In Phonopy-API, from this version, to create displacements in supercells internally the phonopy object, the generate_displacements method has to be called explicitely along with the distance argument. See Phonopy API for Python.
0.9.5.2 Pre Jun 9, 2011 New Release

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