Advanced Capabilities for Materials Modelling with Quantum ESPRESSO
P. Giannozzi,O. Andreussi,T. Brumme,O. Bunau,M. Buongiorno Nardelli,M. Calandra,R. Car,C. Cavazzoni,D. Ceresoli,M. Cococcioni,N. Colonna,I. Carnimeo,A. Dal Corso,S. de Gironcoli,P. Delugas,R. A. DiStasio, A. Ferretti,A. Floris,G. Fratesi,G. Fugallo,R. Gebauer,U. Gerstmann,F. Giustino,T. Gorni,J. Jia,M. Kawamura, H-Y Ko,A. Kokalj,E. Kucukbenli, M. Lazzeri,M. Marsili,N. Marzari,F. Mauri,N. L. Nguyen, H-V Nguyen,A. Otero-de-la-Roza,L. Paulatto,S. Ponce,D. Rocca, R. Sabatini,B. Santra,M. Schlipf,A. P. Seitsonen,A. Smogunov,I. Timrov,T. Thonhauser,P. Umari,N. Vast,X. Wu,S. Baroni Journal of Physics Condensed Matter（2017）
Key words
density-functional theory,density-functional perturbation theory,many-body perturbation theory,first-principles simulations
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