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).
|OS||Mac OS X|
|Installation||Instal And Uninstall|
|Keywords||phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon|
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.
|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|