Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis setGeorg Kresse(TU Wien), J. Furthmüller(Friedrich Schiller University Jena)Computational Materials ScienceJuly 1, 199610.1016/0927-0256(96)00008-0Cited by 74,078SaveCiteExport RISWatch citationsAbstractRelated PapersProjector augmented-wave methodPeter E. Blöchl|Physical review. B, Condensed matter|1994|90k<i>Ab initio</i>molecular dynamics for open-shell transition metalsGeorg Kresse, J. Häfner|Physical review. B, Condensed matter|1993|8.2kImproved tetrahedron method for Brillouin-zone integrationsPeter E. Blöchl, O. Jepsen, O. K. Andersen|Physical review. B, Condensed matter|1994|7.2kForces in MoleculesRichard P. Feynman|Physical Review|1939|3.8kA class of methods for solving nonlinear simultaneous equationsC. G. Broyden|Mathematics of Computation|1965|2.6k