Giannozzi, Paolo
Giannozzi, Paolo
Ab initio calculation of phonon dispersions in semiconductors
1991-01-01 Giannozzi, P.; De Gironcoli, S.; Pavone, P.; Baroni, S.
Ab initio lattice dynamics of diamond
1993-01-01 Pavone, P.; Karch, K.; Schütt, O.; Strauch, D.; Windl, W.; Giannozzi, P.; Baroni, S.
Density-functional perturbation theory for quasi-harmonic calculations
2010-01-01 Baroni, Stefano; Giannozzi, Paolo; Isaev, Eyvaz
Effects of disorder on the Raman spectra of GaAs/AlAs superlattices
1992-01-01 Molinari, E.; Baroni, S.; Giannozzi, P.; De Gironcoli, S.
Elastic Constants of Crystals from Linear-Response Theory
1987-01-01 Baroni, S.; Giannozzi, P.; Testa, A.
First-principles codes for computational crystallography in the Quantum-ESPRESSO package
2005-01-01 Scandolo, S.; Giannozzi, P.; Cavazzoni, C.; de Gironcoli, S.; Pasquarello, A.; Baroni, S.
Green’s-function approach to linear response in solids
1987-01-01 Baroni, S.; Giannozzi, P.; Testa, A.
Hartree-Fock energy bands in molecular crystals: Solid hydrogen in the cubic phase
1984-01-01 Giannozzi, P.; Baroni, S.
High pressure lattice instabilities and structural phase transformations in solids from ab-initio lattice dynamics
1997-01-01 Baroni, S.; Giannozzi, P.
High-pressure low-symmetry phases of cesium halides
1995-01-01 Buongiorno Nardelli, M.; Baroni, S.; Giannozzi, Paolo
Infrared reflectivity by transverse-optical phonons in (GaAs)m/(AlAs)n ultrathin-layer superlattices
1991-01-01 Scamarcio, G.; Tapfer, L.; König, W.; Fischer, A.; Ploog, K.; Molinari, E.; Baroni, S.; Giannozzi, P.; De Gironcoli, S.
Isotopically resolved Raman spectra of C60
1994-01-01 Guha, S.; Menéndez, J.; Page, J. B.; Adams, G. B.; Spencer, G. S.; Lehman, J. P.; Giannozzi, P.; Baroni, S.
Phonon dispersions in GaxAl1−xAs alloys
1990-01-01 Baroni, S.; De Gironcoli, S.; Giannozzi, P.
Phonon softening and high-pressure low-symmetry phases of cesium iodide
1992-01-01 Nardelli, M. B.; Baroni, S; Giannozzi, P.
Phonon spectra of ultrathin GaAs/AlAs superlattices: An ab initio calculation
1990-01-01 Baroni, S.; Giannozzi, P.; Molinari, E.
Phonons and related crystal properties from density-functional perturbation theory
2001-01-01 Baroni, S.; de Gironcoli, S.; Dal Corso, A.; Giannozzi, P.
Pressure-induced structural instability of cesium halides from ab initio pseudopotential techniques
1987-01-01 Baroni, S.; Giannozzi, P.
Quantum ESPRESSO toward the exascale
2020-01-01 Giannozzi, P.; Baseggio, O.; Bonfa, P.; Brunato, D.; Car, R.; Carnimeo, I.; Cavazzoni, C.; De Gironcoli, S.; Delugas, P.; Ferrari Ruffino, F.; Ferretti, A.; Marzari, N.; Timrov, I.; Urru, A.; Baroni, S.
Raman cross section for the pentagonal-pinch mode in buckminsterfullerene C-60
1997-01-01 Lorentzen, J. D.; Guha, S.; Menendez, J.; Giannozzi, P.; Baroni, S.
Reproducibility in density functional theory calculations of solids
2016-01-01 Lejaeghere, Kurt; Bihlmayer, Gustav; Björkman, Torbjörn; Blaha, Peter; Blügel, Stefan; Blum, Volker; Caliste, Damien; Castelli, Ivano E; Clark, Stewart J; Dal Corso, Andrea; de Gironcoli, Stefano Maria; Deutsch, Thierry; Dewhurst, John Kay; Di Marco, Igor; Draxl, Claudia; Dułak, Marcin; Eriksson, Olle; Flores Livas, José A; Garrity, Kevin F; Genovese, Luigi; Giannozzi, Paolo; Giantomassi, Matteo; Goedecker, Stefan; Gonze, Xavier; Grånäs, Oscar; Gross, E. K. U; Gulans, Andris; Gygi, François; Hamann, D. R; Hasnip, Phil J; Holzwarth, N. A. W; Iuşan, Diana; Jochym, Dominik B; Jollet, François; Jones, Daniel; Kresse, Georg; Koepernik, Klaus; Kucukbenli, Emine; Kvashnin, Yaroslav O; Locht, Inka L. M; Lubeck, Sven; Marsman, Martijn; Marzari, Nicola; Nitzsche, Ulrike; Nordström, Lars; Ozaki, Taisuke; Paulatto, Lorenzo; Pickard, Chris J; Poelmans, Ward; Probert, Matt I. J; Refson, Keith; Richter, Manuel; Rignanese, Gian Marco; Saha, Santanu; Scheffler, Matthias; Schlipf, Martin; Schwarz, Karlheinz; Sharma, Sangeeta; Tavazza, Francesca; Thunström, Patrik; Tkatchenko, Alexandre; Torrent, Marc; Vanderbilt, David; van Setten, Michiel J; Van Speybroeck, Veronique; Wills, John M; Yates, Jonathan R; Zhang, Guo Xu; Cottenier, Stefaan