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Displaying 6 results.
    • 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
    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
    An extensible and portable file format for electronic structure and crystallographic data
    Gonze, Xavier[UCL] Almbladh, C.-O. Cucca, A. Caliste, D. Freysoldt, C. Marques, M. Olevano, Valério[UCL] Pouillon, Y. Verstraete, Matthieu[UCL] (2007) Psi-k Newsletter — Vol. 83, p. 53-62 (October 2007)
    • Journal article
    ABINIT: First-principles approach to material and nanosystem properties
    Gonze, Xavier[UCL] Amadon, B. Anglade, P.-M. Beuken, Jean-Michel[UCL] Bottin, F. Boulanger, Paul[UCL] Bruneval, F. Caliste, D. Caracas, R. Côté, M. Deutsch, T. Genovese, L. Ghosez, P. Giantomassi, Matteo[UCL] Goedecker, S. Hamann D.R. Hermet, P. Jollet, F. Jomard, G. Leroux, Stéphane[UCL] Mancini, M. Mazevet, S. Oliveira, M. J. T.[UCL] Onida, G. Pouillon, Y.[UCL] Rangel, T.[UCL] Rignanese, Gian-Marco[UCL] Sangalli, D. Shaltaf, R.[UCL] Torrent, M. Verstraete, Matthieu J.[UCL] Zerah, G. Zwanziger, J.W. (2009) Computer Physics Communications — Vol. 180, no. 12, p. 2582-2615 (2009)
    • Journal article
    Recent developments in the ABINIT software package
    Gonze, Xavier[UCL] Jollet, F. Abreu Araujo, Flavio[UCL] Adams, D. Amadon, B. Applencourt, T. Audouze, C. Beuken, Jean-Michel[UCL] Bieder, J. Bokhanchuk, A. Bousquet, E. Bruneval, F. Caliste, D. Côté, M. Dahm, F. Da Pieve, Fabiana[UCL] Delaveau, M. Di Gennaro, M. Dorado, B. Espejo, C. Geneste, G. Genovese, L. Gerossier, A. Giantomassi, Matteo[UCL] Gillet, Yannick[UCL] Hamann, D.R. He, L. Jomard, G. Laflamme Janssen, Jonathan[UCL] Le Roux, Stéphane[UCL] Levitt, A. Lherbier, Aurélien[UCL] Liu, F. Lukačević, I. Martin, A. Martins, C. Oliveira, M.J.T. Poncé, Samuel[UCL] Pouillon, Y. Rangel, T. Rignanese, Gian-Marco[UCL] Romero, A.H. Rousseau, B. Rubel, O. Shukri, A.A. Stankovski, M. Torrent, M. van Setten, Michiel[UCL] Van Troeye, Benoît[UCL] Verstraete, M.J. Waroquiers, David[UCL] Wiktor, J. Xu, B. Zhou, A. Zwanziger, J.W. (2016) Computer Physics Communications — Vol. 205, no. - , p. 106-131 (2016)
    • Journal article
    Reproducibility in density functional theory calculations of solids
    Lejaeghere, K. Bihlmayer, G. Bjorkman, T. Blaha, P. Blugel, S. Blum, V. Caliste, D. Castelli, I. E. Clark, S. J. Dal Corso, A. de Gironcoli, S. Deutsch, T. Dewhurst, J. K. Di Marco, I. Draxl, C. Du ak, M. Eriksson, O. Flores-Livas, J. A. Garrity, K. F. Genovese, L. Giannozzi, P. Giantomassi, Matteo[UCL] Goedecker, S. Gonze, Xavier[UCL] Granas, O. Gross, E. K. U. Gulans, A. Gygi, F. Hamann, D. R. Hasnip, P. J. Holzwarth, N. A. W. Iu an, D. Jochym, D. B. Jollet, F. Jones, D. Kresse, G. Koepernik, K. Kucukbenli, E. Kvashnin, Y. O. Locht, I. L. M. Lubeck, S. Marsman, M. Marzari, N. Nitzsche, U. Nordstrom, L. Ozaki, T. Paulatto, L. Pickard, C. J. Poelmans, W. Probert, M. I. J. Refson, K. Richter, M. Rignanese, Gian-Marco[UCL] Saha, S. Scheffler, M. Schlipf, M. Schwarz, K. Sharma, S. Tavazza, F. Thunstrom, P. Tkatchenko, A. Torrent, M. Vanderbilt, D. van Setten, Michiel[UCL] Van Speybroeck, V. Wills, J. M. Yates, J. R. Zhang, G.-X. Cottenier, S. (2016) Science — Vol. 351, no.6280, p. aad3000-aad3000 (2016)