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Advanced capabilities for materials modelling with Quantum ESPRESSO.
Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, Colonna N, Carnimeo I, Dal Corso A, de Gironcoli S, Delugas P, DiStasio RA Jr, Ferretti A, Floris A, Fratesi G, Fugallo G, Gebauer R, Gerstmann U, Giustino F, Gorni T, Jia J, Kawamura M, Ko HY, Kokalj A, Küçükbenli E, Lazzeri M, Marsili M, Marzari N, Mauri F, Nguyen NL, Nguyen HV, Otero-de-la-Roza A, Paulatto L, Poncé S, Rocca D, Sabatini R, Santra B, Schlipf M, Seitsonen AP, Smogunov A, Timrov I, Thonhauser T, Umari P, Vast N, Wu X, Baroni S. Giannozzi P, et al. Among authors: baroni s. J Phys Condens Matter. 2017 Nov 22;29(46):465901. doi: 10.1088/1361-648X/aa8f79. Epub 2017 Oct 24. J Phys Condens Matter. 2017. PMID: 29064822 Free article.
High-pressure low-symmetry phases of cesium halides.
Nardelli MB, Baroni S, Giannozzi P. Nardelli MB, et al. Among authors: baroni s. Phys Rev B Condens Matter. 1995 Apr 1;51(13):8060-8068. doi: 10.1103/physrevb.51.8060. Phys Rev B Condens Matter. 1995. PMID: 9977414 No abstract available.
Ab initio calculation of phonon dispersions in semiconductors.
Giannozzi P, de Gironcoli S, Pavone P, Baroni S. Giannozzi P, et al. Among authors: baroni s. Phys Rev B Condens Matter. 1991 Mar 15;43(9):7231-7242. doi: 10.1103/physrevb.43.7231. Phys Rev B Condens Matter. 1991. PMID: 9998187 No abstract available.
Effects of disorder on the Raman spectra of GaAs/AlAs superlattices.
Molinari E, Baroni S, Giannozzi P, de Gironcoli S. Molinari E, et al. Among authors: baroni s. Phys Rev B Condens Matter. 1992 Feb 15;45(8):4280-4288. doi: 10.1103/physrevb.45.4280. Phys Rev B Condens Matter. 1992. PMID: 10002043 No abstract available.
Anomalous pressure-induced transition(s) in ice XI.
Umemoto K, Wentzcovitch RM, Baroni S, de Gironcoli S. Umemoto K, et al. Among authors: baroni s. Phys Rev Lett. 2004 Mar 12;92(10):105502. doi: 10.1103/PhysRevLett.92.105502. Epub 2004 Mar 12. Phys Rev Lett. 2004. PMID: 15089212
370 results