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AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
AFLOWπ: A minimalist approach to high-throughput ab initio calculations including the generation of tight-binding hamiltonians
Supka, Andrew R. (author) / Lyons, Troy E. (author) / Liyanage, Laalitha (author) / D’Amico, Pino (author) / Al Rahal Al Orabi, Rabih (author) / Mahatara, Sharad (author) / Gopal, Priya (author) / Toher, Cormac (author) / Ceresoli, Davide (author) / Calzolari, Arrigo (author)
Computational materials science ; 136 ; 76-84
2017-01-01
9 pages
Article (Journal)
Unknown
DDC:
620.1
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Tight-binding parametrization of transition metal elements from LCAO ab initio Hamiltonians
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