User menu

Accès à distance ? S'identifier sur le proxy UCLouvain

Search

Displaying 11 results.
    • Journal article
    Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
    Torrent, Marc Jollet, François Bottin, Francois Zerah, Gilles Gonze, Xavier[UCL] (2008) Computational Materials Science — Vol. 42, no. 2, p. 337-351 (2008)
    • Journal article
    Accurate GW self-energies in a plane-wave basis using only a few empty states: Towards large systems
    Bruneval, Fabien Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 8, p. 085125 : 1-9 (2008)
    • Journal article
    Comparison between projector augmented-wave and ultrasoft pseudopotential formalisms at the density-functional perturbation theory level
    Audouze, Christophe Jollet, Francois Torrent, Marc Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 3, p. 035105 : 1-14 (2008)
    • Journal article
    Preconditioning of self-consistent-field cycles in density-functional theory: The extrapolar method
    Anglade, P. -M.[UCL] Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 4, p. 045126 : 1-11 (2008)
    • Journal article
    Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead
    Verstraete, Matthieu J.[UCL] Torrent, Marc Jollet, Francois Zerah, Gilles Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 4, p. 045119 : 1-9 (2008)
    • Journal article
    Specification of an extensible and portable file format for electronic structure and crystallographic data
    Gonze, Xavier[UCL] Almbladh, C. -O. Cucca, A. Caliste, D.[UCL] Freysoldt, C. Marques, M. A. L. Olevano, V. Pouillon, Y.[UCL] Verstraete, Matthieu J.[UCL] (2008) Computational Materials Science — Vol. 43, no. 4, p. 1056-1065 (2008)
    • Journal article
    Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory
    Shaltaf, R.[UCL] Durgun, E. Raty, J. -Y. Ghosez, Ph. Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 20, p. 205203 (2008)
    • Journal article
    Sharing electronic structure and crystallographic data with ETSF_IO
    Caliste, D.[UCL] Pouillon, Y.[UCL] Verstraete, Matthieu J.[UCL] Olevano, V. Gonze, Xavier[UCL] (2008) Computer Physics Communications — Vol. 179, no. 10, p. 748-758 (2008)
    • Journal article
    Lattice properties of PbX (X=S, Se, Te): Experimental studies and ab initio calculations including spin-orbit effects
    Romero, A. H. Cardona, M. Kremer, René[UCL] Lauck, R. Siegle, G. Serrano, Jorge[UCL] Gonze, Xavier[UCL] (2008) Physical review. B, Condensed matter and materials physics — Vol. 78, no. 22, p. 224302 : 1-9 (2008)
    • Journal article
    Band Offsets at the Si/SiO2 Interface from Many-Body Perturbation Theory.
    Shaltaf, Riad[UCL] Rignanese, Gian-Marco[UCL] Gonze, Xavier[UCL] Giustino, Feliciano Pasquarello, Alfredo (2008) Physical Review Letters — Vol. 100, no. 18, p. 186401 (2008)
    • Journal article
    Harnessing the power of modern package management tools for a large Fortran-90-based project: the mutation of ABINIT
    Pouillon, Yann Gonze, Xavier[UCL] (2008) Psi-k Newsletter — Vol. 90, p. 57-67 (December 2008)