Results of ab initio (DFT) calculations of fullerenes

<p>This is the collection of input and output files of ground state DFT calculations of fullerenes. They were carried out using Quantum Espresso. These calculations correspond to the article <i>Electron-vibrational renormalization in fullerenes through ab initio and machine learning methods, by Pablo Garcıa-Risueno, Eva Armengol, Angel Garcıa-Cerdana, David Carrasco-Busturia and Juan Marıa Garcıa-Lastra. </i>The results make it possible to calculate renormalisations of electronic eigenvalues due to electron-vibrational (electron-phonon) interaction using the frozen-phonon method.</p>