article Open AccessTop 10% cited
wannier90: A tool for obtaining maximally-localised Wannier functions
Computer Physics Communications · 2007 · Vol. 178(9) · pp. 685–699
Arash A. Mostofi✉(Massachusetts Institute of Technology)Jonathan R. Yates(Lawrence Berkeley National Laboratory)Young‐Su Lee(Massachusetts Institute of Technology)Ivo Souza(University of California, Berkeley)David Vanderbilt(Rutgers, The State University of New Jersey)Nicola Marzari(Massachusetts Institute of Technology)
Protein Structure and DynamicsPlant biochemistry and biosynthesisCrystallization and Solubility StudiesWannier functionPhysicsComputer scienceCondensed matter physics
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References
Special points for Brillouin-zone integrations
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Simplified LCAO Method for the Periodic Potential Problem
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Maximally localized Wannier functions for entangled energy bands
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Maximally localized generalized Wannier functions for composite energy bands
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