Structural, electronic and mechanical properties of double core carbon nanothreads (Supplemental Files)

The structures shown here are examples of the double core nanothreads studied in the article entitled “Structural, electronic and mechanical properties of double core carbon nanothreads” submitted to Carbon and authored by Caio M. Miliante, J. P. Dotto de Matos and André R. Muniz.<br> While these structures are shared in the file format used with the VASP program (“.vasp” extension) all the calculations for this article were performed with the Quantum Espresso package, as described in the article. The choice for this file format was chosen because allows for an easier conveying of the atom coordinates alongside the cell parameters in which they were run in and can be visualized with the VESTA program (https://jp-minerals.org/vesta/en).