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
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principle...
We introduce a new Python package (pyHMA) that interfaces with VASP to compute (classical) anharmoni...
This file contains the data and code for the paper "Topological phonon transport in an optomechanica...
Lattice vibrations in CH3NH3PbI3 are strongly interacting, with double-well instabilities present at...
These are the supplementary data to the preprint linked in related identifiers. Data contains: Abin...
Raw data to accompany the article "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Mo...
Phonon (lattice/atoms vibrations) and dielectric properties of 1296 compounds computed via ABINIT so...
Two frequency-domain methods for predicting phonon frequencies and life-times using the phonon spect...
A dataset of ab initio phonon calculation input and output files for the CASTEP, VASP and PHONOPY co...
We derive and validate a technique for predicting phonon dispersion relations and lifetimes from the...
<p>Supplementary information for DOI: 10.1021/acs.jpcc.7b04757</p> <p>POSCAR-XXX: DFT optimised str...
This repository provides additional data to accompany the paper: "Lattice dynamics of Pnma Sn[S(1-x)...
Thesis (Ph.D.)--University of Washington, 2015Phonons, the quantization of atomic vibrations, are im...
Funding Information: This work is supported by the National Natural Science Foundation of China (118...
The phonon dispersion relations of crystal lattices can often be well described with the harmonic ap...
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principle...
We introduce a new Python package (pyHMA) that interfaces with VASP to compute (classical) anharmoni...
This file contains the data and code for the paper "Topological phonon transport in an optomechanica...
Lattice vibrations in CH3NH3PbI3 are strongly interacting, with double-well instabilities present at...
These are the supplementary data to the preprint linked in related identifiers. Data contains: Abin...
Raw data to accompany the article "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Mo...
Phonon (lattice/atoms vibrations) and dielectric properties of 1296 compounds computed via ABINIT so...
Two frequency-domain methods for predicting phonon frequencies and life-times using the phonon spect...
A dataset of ab initio phonon calculation input and output files for the CASTEP, VASP and PHONOPY co...
We derive and validate a technique for predicting phonon dispersion relations and lifetimes from the...
<p>Supplementary information for DOI: 10.1021/acs.jpcc.7b04757</p> <p>POSCAR-XXX: DFT optimised str...
This repository provides additional data to accompany the paper: "Lattice dynamics of Pnma Sn[S(1-x)...
Thesis (Ph.D.)--University of Washington, 2015Phonons, the quantization of atomic vibrations, are im...
Funding Information: This work is supported by the National Natural Science Foundation of China (118...
The phonon dispersion relations of crystal lattices can often be well described with the harmonic ap...
We here introduce a Fortran code that computes anharmonic free energy of solids from first-principle...
We introduce a new Python package (pyHMA) that interfaces with VASP to compute (classical) anharmoni...
This file contains the data and code for the paper "Topological phonon transport in an optomechanica...