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Wannier90 as a community code: new features and applications
Giovanni Pizzi, Valerio Vitale, Ryotaro Arita +28
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electron…
Automated construction of maximally localized Wannier functions for bands with nontrivial topology
Jamal I. Mustafa, Sinisa Coh, Marvin L. Cohen +1
We show that an optimized projection functions method can automatically construct maximally localized Wannier functions even for bands with nontrivial topology. We demonstrate this…
Automated construction of maximally localized Wannier functions: Optimized projection functions method
Jamal I. Mustafa, Sinisa Coh, Marvin L. Cohen +1
Maximally localized Wannier functions are widely used in electronic structure theory for analyses of bonding, electric polarization, orbital magnetization, and for interpolation. T…