Data for "Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory"

  • Lucy Whalley Imperial College London (Data Collector)
  • Jonathan Skelton (Creator)
  • Jarvist Frost Imperial College London (Data Collector)
  • Aron Walsh Imperial College London, Yonsei University (Project Leader)

Dataset

Description

Data to accompany the article "Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory". The data includes a set of input files for the Vienna Ab initio Simulation Package (VASP) electronic-structure code, together with input and output files for the Phonopy and Phono3py packages used to set up and post-process the lattice-dynamics calculations.
Date made available2016
PublisherUniversity of Bath

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