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

Cite this

Whalley, L. (Data Collector), Skelton, J. (Creator), Frost, J. (Data Collector), Walsh, A. (Project Leader) (2016). Data for "Phonon anharmonicity, lifetimes, and thermal transport in CH3NH3PbI3 from many-body perturbation theory". University of Bath. 10.15125/BATH-00322