papers
Publications (9)
physics.comp-ph2019
Density functional perturbation theory within non-collinear magnetism
Fabio Ricci, Sergei Prokhorenko, Marc Torrent +2
cond-mat.mtrl-sci2018
Interatomic force constants including the DFT-D dispersion contribution
Benoit Van Troeye, Marc Torrent, Xavier Gonze
physics.plasm-ph2018
Ab initio model of optical properties of two-temperature warm dense matter
Bastian Holst, Vanina Recoules, Stephane Mazevet +7
cond-mat.mtrl-sci2013
Hydrogen diffusion in the proton conductor Gd-doped barium cerate
Jessica Hermet, Marc Torrent, François Bottin +2
cond-mat.mtrl-sci2012
Strong Isotopic Effect in Phase II of Dense Solid Hydrogen and Deuterium
Grégory Geneste, Marc Torrent, François Bottin +1
cond-mat.mtrl-sci2018
First-principle study of paraelectric and ferroelectric CsH$_2$PO$_4$ including dispersion forces: stability and related vibrational, dielectric and elastic properties
Benoit Van Troeye, Michiel Jan van Setten, Matteo Giantomassi +3
cond-mat.mtrl-sci2016
A wavelet-based Projector Augmented-Wave (PAW) method: reaching frozen-core all-electron precision with a systematic, adaptive and localized wavelet basis set
Tonatiuh Rangel, Damien Caliste, Luigi Genovese +1
cond-mat.mtrl-sci2013
Generation of Projector Augmented-Wave atomic data: a 71 elements validated table in the XML format
François Jollet, Marc Torrent, Natalie Holzwarth
cond-mat.mtrl-sci2017
Precise effective masses from density functional perturbation theory
Jonathan Laflamme Janssen, Yannick Gillet, Samuel Poncé +3