Context and Methodology This repository contains raw data for the paper "Absence of electron-phonon-mediated superconductivity in hydrogen-intercalated nickelates" in the field of computational condensed matter. It was uploaded with the purpose of making the data of the paper publicly available to ensure reproducibility of the calculations performed. The preprint is available on arXiv. The manuscript has been submitted to a peer review journal. The dataset contains raw data used for the figures, input and output files for the calculations, as well as the modified code employed. Technical details The repository contains data in plain text format, as well as a few .png figures. It contains the following data:

One folder corresponding to each figure in the publication, with the raw data used to generate the figure (Figure1, Figure2, Figure3). Where more than one panel is present, subfolders indicate the data for each panel. Raw input and output files for the calculations performed. All input and output files are in plain text format and can be read by any text editor. To understand their significance we refer the reader to the manual for the Quantum ESPRESSO and EPW codes. The folders containing input and output data are divided as follows:

The "LaNiO2" folder contains calculations for LaNiO2 done in two different supercells. The name of the folders/subfolders indicates the type of calculations.  The "NdNiO2" folder contains calculations for NdNiO2 done in the 2x2x1 supercell, as well as convergence checks. Please note that under /PHONONS/ANHARMONIC/ only the raw data for the anharmonic phonon calculations are reported. The code was not uploaded, since it was given privately by the group of prof. Heil from TU Graz. Enquiries for the code should be directed to them.  QE-7.1_DiCataldo_edit contains a modifided version of Quantum ESPRESSO that will accept as input the number of electrons and compute the electron-phonon coupling in the rigid-band approximation. This modified Quantum ESPRESSO code is shared under the GNU general public license in respect of the original license of the code. License All data is published under the CC-BY 4.0 license. The code is under the GNU General public license.