PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials

Computational Materials Science v. 143, p. 462-472, 2018 2.53 10.1016/j.commatsci.2017.11.034 Nardelli, M. B.; Cerasolli, F. T.; Costa, M.; Curtarolo, S.; De Gennaro, R. ; Fornari, M.; Liyanage, L.; Supka, A. R.; Wang, H. 2018