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4.3 TUW.TUDATA 10.48436/d608p-bba49 oai:researchdata.tuwien.ac.at:d608p-bba49 Held, Karsten Karsten Held TU Wien TU Wien 2025 superconductivity density fucntional theory dynamical mean-field theory Di Cataldo, Simone Simone Di Cataldo 0000-0002-8902-0125 Graz University of Technology TU Wien Università degli Studi di Roma La Sapienza Hausoel, Andreas Andreas Hausoel 0000-0002-5026-7219 Leibniz Institute for Solid State and Materials Research Kitatani, Motoharu Motoharu Kitatani Hyogo University 2025-04-17 2025-04-24 eng 10.48436/053xt-r6p47 Creative Commons Attribution 4.0 International GNU General Public License v3.0 or later This repository contains the data behind the manuscript   Superconducting phase diagram of finite-layer nickelates Ndn+1NinO2n+2  https://arxiv.org/abs/2502.12144.   The superconducting critical temperature Tc is calculated vs. the number of layers n in  Ndn+1NinO2n+2. We start with density functional theory, and include local correlations non-perturbatively by dynamical mean-field theory for n=2 to 7. We finally calculate Tc for the single-orbital Hubbard model by dynamical vertex approximation The following programs have been used to create the data, cf. the manuscript for further information:DFT: VASP version 6.3.0 (https://www.vasp.at) , Wannier90 version 3.1.0 (https://wannier.org)DMFT: w2dynamics (https://github.com/w2dynamics), ana_cont version 1.1.2 (https://github.com/josefkaufmann/ana_cont) DFT and Wannier projection data  can be found in nickelates_dft_data.tar.gzDMFT runs can be found in nickelates_dmft_runs.tar.gzThe analytically continued DMFT spectra can be found in nickelates_dmft_spectra.tar.gzThe DMFT occupations and plot scripts for Fig. 5 can be found in occupations_data.tar.gz.DGA data and plotting scripts can be found DGAresult250413.zip Python plotting scripts use numpy  Version: 1.26.3 and matplotlib Version: 3.8.0 Data are under Creative Commons Attribution 4.0 International licence; plotting scripts are under GNU GPLv3 licence.