[Phonopy-users] breathing mode
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From: Yundi Q. <tur...@gm...> - 2011-11-24 05:20:25
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For an atom inside an octahedron, if all the atoms sitting at the corners of the octahedron are moving away from the atom at the center. That's called breathing. This happens in several materials. So I would strongly recommend implementing the option of detecting breathing mode automatically in the code. Yundi |