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 superconductivity originating from
disconnected Fermi surfaces in the iron-based compound
Hideo Aoki [ARXIV] - Unconventional pairing originating from
disconnected Fermi surfaces in the iron-based superconductor
Kazuhiko Kuroki and Hideo Aoki [ARXIV] - Giant flexoelectric effect in two-dimensional
boron-nitride sheets
I. Naumov, A. M. Bratkovsky and V. Ranjan [ARXIV] - Origin of superconductivity in boron-doped silicon carbide from first principles
Jesse Noffsinger, Feliciano Giustino, Steven G. Louie, and Marvin L. Cohen, Phys. Rev. B 79, 104511 (2009) [ ONLINE JOURNAL] - Electron-Phonon Interactions in Graphene, Bilayer Graphene, and Graphite
Cheol-Hwan Park, Feliciano Giustino, Marvin L. Cohen and Steven G. Louie, Nano Lett. 8 4229 (2008) [ONLINE JOURNAL] - Van Hove singularity and apparent anisotropy in the electron-phonon interaction in graphene Cheol-Hwan Park, Feliciano Giustino, Jessica L. McChesney, Aaron Bostwick, Taisuke Ohta, Eli Rotenberg, Marvin L. Cohen and Steven G. Louie, Phys. Rev. B 77, 113410 (2008) [ONLINE JOURNAL]
- First-Principles Study of Electron Linewidths in Graphene Cheol-Hwan Park, Feliciano Giustino, Catalin D. Spataru, Marvin L. Cohen and Steven G. Louie, Phys. Rev. Lett. 102, 076803 (2009) [ONLINE JOURNAL]
- Bandwidth and Fermi surface of iron oxypnictides:
Covalency and sensitivity to structural changes
Veronica Vildosola, Leonid Pourovskii, Ryotaro Arita, Silke Biermann, and Antoine Georges, Phys. Rev. B 78, 064518 (2008) [ ONLINE JOURNAL] - First-principles study on the origin of large thermopower
in hole-doped LaRhO3 and CuRhO2
H. Usui, R. Arita and K. Kuroki, J. Phys. Cond. Mat. 21, 064223 (2009) [ONLINE JOURNAL] - Maximally-localized Wannier functions for GW quasiparticles
D. R. Hamann and D. Vanderbilt, Phys. Rev. B 79, 045109 (2009) [ONLINE JOURNAL] - First-principles study of benzene adsorption on the SiC(001)-(3x2) surface
J. Wieferink, P. Kruger and J. Pollmann, Phys. Rev. B 78, 165315 (2008) [ONLINE JOURNAL] - Optical weights and waterfalls in doped charge-transfer insulators:
A local density approximation and dynamical mean-field theory study of
La2xSrxCuO4
C. Weber, K. Haule and G. Kotliar, Phys. Rev. B 78, 134519 (2008) [ONLINE JOURNAL] - 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, Phys. Rev. Lett. 101, 087004 (2008) [ONLINE JOURNAL] - 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 J. Phys. Soc. Jpn. 77, 093714 (2008) [ONLINE JOURNAL] - 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]