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.
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).
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).
- Under preparation. Please contact atz.togo@gmail.com for the data.