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most citedWannier90 as a community code: new features and applications

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cond-mat.mtrl-sci2026

Total-energy-assisted Tight-binding Method Based on Density Functional Theory - Design Principles toward Transferability and Extrapolation

Takeo Fujiwara, Yoshiro Nohara, Susumu Yamamoto

The previously proposed tight-binding method derived from the total energy has been extended within the local density approximation (TE-TB method; J. Phys. Soc. Jpn. 87, 064802 (20…