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Xavier Gonze
Xavier Gonze
Professor of Computational Material Science (UCLouvain, Belgium)
Verified email at uclouvain.be - Homepage
Title
Cited by
Cited by
Year
First-principles computation of material properties: the ABINIT software project
X Gonze, JM Beuken, R Caracas, F Detraux, M Fuchs, GM Rignanese, ...
Computational Materials Science 25 (3), 478-492, 2002
36992002
Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory
X Gonze, C Lee
Physical Review B 55 (16), 10355, 1997
33221997
ABINIT: First-principles approach to material and nanosystem properties
X Gonze, B Amadon, PM Anglade, JM Beuken, F Bottin, P Boulanger, ...
Computer Physics Communications 180 (12), 2582-2615, 2009
29842009
The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table
MJ Van Setten, M Giantomassi, E Bousquet, MJ Verstraete, DR Hamann, ...
Computer Physics Communications 226, 39-54, 2018
13602018
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
12872016
A brief introduction to the ABINIT software package
X Gonze
Zeitschrift für Kristallographie-Crystalline Materials 220 (5-6), 558-562, 2005
12732005
First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm
X Gonze
Physical Review B 55 (16), 10337, 1997
12331997
Ghosez Ph., Veithen M., Raty J
X Gonze, GM Rignanese, M Verstraete, JM Beuken, Y Pouillon, ...
Y., Olevano V., Bruneval F., Reining L., Godby R., Onida G., Hamann DR, and …, 2005
9342005
Recent developments in the ABINIT software package
X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ...
Computer physics communications 205, 106-131, 2016
8212016
Identification and design principles of low hole effective mass p-type transparent conducting oxides
G Hautier, A Miglio, G Ceder, GM Rignanese, X Gonze
Nature communications 4 (1), 2292, 2013
7402013
Adiabatic density-functional perturbation theory
X Gonze
Physical Review A 52 (2), 1096, 1995
7371995
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
M Torrent, F Jollet, F Bottin, G Zérah, X Gonze
Computational Materials Science 42 (2), 337-351, 2008
6652008
Dynamical atomic charges: The case of compounds
P Ghosez, JP Michenaud, X Gonze
Physical Review B 58 (10), 6224, 1998
6581998
Lee, C1: CAS: 528: DyaK2sXivFOlsbs% 3D: Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional …
X Gonze
Phys Rev B, 10355-10368, 1997
6501997
Analysis of separable potentials
X Gonze, R Stumpf, M Scheffler
Physical Review B 44 (16), 8503, 1991
6081991
Dielectric tensor, effective charges, and phonons in α-quartz by variational density-functional perturbation theory
X Gonze, DC Allan, MP Teter
Physical Review Letters 68 (24), 3603, 1992
5331992
The ABINIT project: Impact, environment and recent developments
X Gonze, B Amadon, G Antonius, F Arnardi, L Baguet, JM Beuken, ...
Computer Physics Communications 248, 107042, 2020
5272020
Energetics of negatively curved graphitic carbon
T Lenosky, X Gonze, M Teter, V Elser
Nature 355 (6358), 333-335, 1992
5101992
Density-functional approach to nonlinear-response coefficients of solids
X Gonze, JP Vigneron
Physical Review B 39 (18), 13120, 1989
4871989
Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series
CJ Umrigar, X Gonze
Physical Review A 50 (5), 3827, 1994
4391994
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