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most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

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cond-mat.mtrl-sci2013★ 217 cited

GW quasiparticle band structures of stibnite, antimonselite, bismuthinite, and guanajuatite

Marina R. Filip, Christopher E. Patrick, Feliciano Giustino

We present first-principles calculations of the quasiparticle band structures of four isostructural semiconducting metal chalcogenides AB (with A = Sb, Bi and B = S, Se) of…