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Precise response functions in all-electron methods: Generalization to nonspherical perturbations and application to NiO
2013
Physical Review B
In a previous publication [Betzinger, Friedrich, Görling, and Blügel, Phys. Rev. B 85, 245124 (2012)] we presented a technique to compute accurate all-electron response functions, e.g., the density response function, within the full-potential linearized augmented-plane-wave (FLAPW) method. Response contributions that are not captured (completely) within the finite Hilbert space spanned by the LAPW basis are taken into account by an incomplete-basis-set correction (IBC). The latter is based on a
doi:10.1103/physrevb.88.075130
fatcat:niexbz3k45cedhytm4346suli4