Dataset for "Accurate and efficient calculation of atomic forces in solids with non-self-consistent hybrid functionals"

This dataset contains input files, output files, and harmonic phonon frequencies calculated via finite difference of atomic forces (Phonopy software) on a variety of 2D and 3D materials. The atomic forces have been computed at the level of the PBE0 hybrid density functional considering two different approaches: self-consistently as available within the PW package of the Quantum ESPRESSO distribution, and non-self-consistently as implemented in this work within the ACFDT external package of Quantum ESPRESSO. More details on the dataset can be found inside the README.txt file.