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

Article ID	Journal	Published Year	Pages	File Type
7958132	Computational Materials Science	2018	11 Pages	PDF

Keywords

High-throughput calculations electronic structure Computer simulations

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

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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

Authors

Marco Buongiorno Nardelli, Frank T. Cerasoli, Marcio Costa, Stefano Curtarolo, Riccardo De Gennaro, Marco Fornari, Laalitha Liyanage, Andrew R. Supka, Haihang Wang,