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Phonopy 1.11.2 freeware
... 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 | 852 |
| OS | Mac OS X |
| Installation | Instal And Uninstall |
| Keywords | phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon |
| Users' rating (18 rating) |
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 |
