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Accuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations

TitleAccuracy of generalized gradient approximation functionals for density-functional perturbation theory calculations
Publication TypeJournal Article
Year of Publication2014
AuthorsHe, L., Liu F., Hautier G., Oliveira M. J. T., Marques M. A. L., Vila F. D., Rehr J. J., Rignanese G. - M., & Zhou A.
KeywordsALPHA-QUARTZ; ELECTRON-GAS; HEAT-CAPACITY; LATTICE-DYNAMICS; MAGNESIUM OXIDE; PHONON DISPERSIONS; STISHOVITE; TEMPERATURE-DEPENDENCE; THERMAL-EXPANSION; VIBRATIONAL-SPECTRUM
JournalPHYSICAL REVIEW B
Volume89
DOI10.1103/PhysRevB.89.064305
Date PublishedFEB 21
Citation Key ISI:000332400600002