In publications arising from the use of Wannier90 please cite
Wannier90: A Tool for Obtaining Maximally-Localised Wannier FunctionsA. A. Mostofi, J. R. Yates, Y.-S. Lee, I. Souza, D. Vanderbilt and N. Marzari
Comput. Phys. Commun. 178, 685 (2008) [ONLINE JOURNAL]
Other papers on the MLWF method
- Psi-K Scientific Highlight of the Month (No. 57)
N. Marzari, I. Souza and D. Vanderbilt [PDF] - The structure of electronic excitation levels in
insulating crystals
G. H. Wannier, Phys. Rev. 52, 191 (1937) [ONLINE JOURNAL] - Maximally localized generalized Wannier functions
for composite energy bands
N. Marzari and D. Vanderbilt, Phys. Rev. B 56, 12847 (1997) [ONLINE JOURNAL] - Maximally localized Wannier functions for entangled
energy bands
I. Souza, N. Marzari and D. Vanderbilt, Phys. Rev. B 65, 035109 (2002) [ONLINE JOURNAL] - Ab initio transport properties of nanostructures from
maximally localized Wannier functions
A. Calzolari, N. Marzari, I. Souza and M. B. Nardelli, Phys. Rev. B 69, 035108 (2004) [ONLINE JOURNAL] - Band structure and quantum conductance of nanostructures
from maximally localized wannier functions: The case of
functionalized carbon nanotubes
Y. S. Lee, M. B. Nardelli and N. Marzari, Phys. Rev. Lett. 95, 076804 (2005) [ONLINE JOURNAL] - Spectral and Fermi surface properties from Wannier
interpolation
J. R. Yates, X. Wang, D. Vanderbilt and I. Souza, Phys. Rev. B 75, 195121 (2007) [ONLINE JOURNAL]
Papers that use MLWF/Wannier90
- Unconventional pairing originating from disconnected Fermi
surfaces in superconducting
LaFeAsO1-xFx
K. Kuroki, S. Onari, R. Arita, H. Usui, Y. Tanaka, H. Kontani and H. Aoki [ARXIV] - Electronic Structure and Electron Correlation in
LaFeAsO1-xFx and
LaFePO1-xFx
W. Malaeb, T. Yoshida, T. Kataoka, A. Fujimori, M. Kubota, K. Ono, H. Usui, K. Kuroki, R. Arita, H. Aoki, Y. Kamihara, M. Hirano and H. Hosono [ARXIV] - Cycloadditions to Control Bond Breaking in Naphthalenes,
Fullerenes, and Carbon Nanotubes: A First-Principles Study
Y.-S. Lee and N. Marzari, J. Phys. Chem. C 112, 4480 (2008) [ONLINE JOURNAL] - Maximally localized Wannier functions within the
FLAPW formalism
F. Freimuth, Y. Mokrousov, D. Wortmann S. Heinze and S. Blugel, Phys. Rev. B 78, 035120 (2008) [ONLINE JOURNAL] - Magnetically-Induced Ferroelectricity in Orthorhombic
Manganites: Microscopic Origin and Chemical Trends
K. Yamauchi, F. Freimuth, S. Blugel and S. Picozzi, Phys. Rev. B 78, 014403 (2008) [ONLINE JOURNAL] - Proximity of antiferromagnetism and superconductivity in
LaFeAsO1-xFx: Effective Hamiltonian from
ab initio studies
C. Cao, P. J. Hirschfeld and H.-P. Cheng, Phys. Rev. B 77, 220506(R) (2008) [ONLINE JOURNAL] - Plane-Wave Based Electronic Structure Calculations for
Correlated Materials Using Dynamical Mean-Field Theory and Projected
Local Orbitals
B. Amadon, F. Lechermann, A. Georges, F. Jollet, T. O. Wehling and A. I. Lichtenstein, Phys. Rev. B 77, 205112 (2008) [ONLINE JOURNAL] - First-principles study of superconductivity and Fermi-surface
nesting in ultrahard transition metal carbides
J. Noffsinger, F. Giustino, S. G. Louie and M. L. Cohen, Phys. Rev. B 77, 180507(R) (2008) [ONLINE JOURNAL] - Small phonon contribution to the photoemission kink in
the copper oxide superconductors
F. Giustino, M. L. Cohen and S. G. Louie, Nature 452, 975 (2008) [ONLINE JOURNAL] - Van der Waals Interactions in DFT Made Easy by
Wannier Functions
P. L. Silvestrelli, Phys. Rev. Lett. 100, 053002 (2008) [ONLINE JOURNAL] - Velocity Renormalzation and Carrier Lifetime in Graphene
from the Electron-Phonon Interaction
C.-H. Park, F. Giustino, M. L. Cohen and S. G. Louie, Phys. Rev. Lett. 99, 086804 (2007) [ONLINE JOURNAL] - Electron-Phonon Interaction via Electronic and Lattice
Wannier Functions: Superconductivity in Boron-Doped Diamond
Reexamined
F. Giustino, J. R. Yates, I. Souza, M. L. Cohen and S. G. Louie, Phys. Rev. Lett. 98, 047005 (2007) [ONLINE JOURNAL] - Initial/Final State Selection of the Spin Polarization
in Electron Tunneling across an Epitaxial Fe/GaAs(001)
Interface
H. Kurebayashi, S. J. Steinmuller, J. B. Laloe, T. Trypiniotis, S. Easton, A. Ionescu, J. R. Yates and J. A. C. Bland, App. Phys. Lett. 91, 102114 (2007) [ONLINE JOURNAL] - Van Hove Singularity and Apparent Anisotropy in the
Electron-Phonon Interaction in Graphene
C.-H. Park, F. Giustino, J. L. McChesney, A. Bostwick, T. Ohta, E. Rotenberg, M. L. Cohen and S. G. Louie, Phys. Rev. B 77, 113410 (2007) [ONLINE JOURNAL] - Fermi-Surface Calculation of the Anomalous Hall
Conductivity
X. Wang, D. Vanderbilt, J. R. Yates and I. Souza, Phys. Rev. B 76, 195109 (2007) [ONLINE JOURNAL] - Electron-Phonon Interaction Using Wannier Functions
F. Giustino, M. L. Cohen and S. G. Louie, Phys. Rev. B 76, 165108 (2007) [ONLINE JOURNAL] - Dynamical Mean-Field Theory Using Wannier Functions:
A Flexible Route to Electronic Structure Calculations of
Strongly Correlated Materials
F. Lechermann, A. Georges, A. Poteryaev, S. Biermann, M. Posternak, A. Yamasaki and O. K. Andersen, Phys. Rev. B 74, 125120 (2006) [ONLINE JOURNAL]