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Navigation: Freeware Home - Education - Mathematics - Phonopy

Phonopy 0.9.5.2 Pre 2 freeware     Save this freeware to your freeware selection - Saved Freeware


Author

Atsushi Togo
OS Mac OS X
Date Released June 09, 2011
Downloads 89
Filesize 1.30 MB
Keywords phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
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... force constants. The force constants are obtained from atomic forces when an atom is slightly displaced in supercell (Parlinsk-Li-Kawasoe method). ...

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Atomic kitten - 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 full download from publisher site or their selected mirrors.

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Atomic kitten - Phonopy freeware - The Latest Versions History

Version Date Released Status Release Notes
0.9.5.2 Pre Jun 9, 2011 New Release


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Phonopy 0.9.5.2 Pre 2 freeware download


... force constants. The force constants are obtained from atomic forces when an atom is slightly displaced in ... structure. Using Phonopy you can 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 ... DFPT in VASP, you don’t need to calculate atomic-forces, though you need a supercell, anyway. Selected ...
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