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phonondb

Original phonondb@kyoto-u website http://phonondb.mtl.kyoto-u.ac.jp/ was closed. The phonondb data have been migrated to data repository services, which are summarized below along with URL links to the phonondb data.

URL links of phonondb data on MDR at NIMS

Phono3py input data of 103 compounds made under finite displacement method

URL links to phono3py finite displacement method inputs of 103 compounds on MDR at NIMS (PBEsol)

Supercell approach with systematic displacements was employed. Forces were computed with PBEsol. These data wer used in A. Togo, J. Phys. Soc. Jpn. 92, 012001 (2023).

URL links to phono3py finite displacement method inputs of 103 compounds on MDR at NIMS (PBE)

Supercell approach with systematic displacements was employed. Forces were computed with PBE. Thease data were used in A. Togo, L. Chaput, and I. Tanaka, Phys. Rev. B, 91, 094306 (2015) and A. Seko, et al., Phys. Rev. Lett., 115, 205901 (2015).

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