Phonopy 1.11.2 download
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Phonopy employs the supercell approach. Force constants are calculated from forces on atoms with atomic finite displacements ([PLKmethod]). Phonopy generates those supercells fully considering crystal symmetry.
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Phonopy employs the supercell approach. Force constants are calculated from forces on atoms with atomic finite displacements ([PLKmethod]). Phonopy generates those supercells fully considering crystal symmetry.
« back