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arxiv: 1610.04637 · v1 · pith:75FLPRPInew · submitted 2016-10-14 · ❄️ cond-mat.mtrl-sci

Comments on All-electron mixed basis GW calculations of TiO2 and ZnO crystals

classification ❄️ cond-mat.mtrl-sci
keywords commentsdensitymisrepresentationaccuratelyadditionaddressagreeall-electron
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These brief comments on the article in Phys. Rev. B 93, 155116 (2016), address an inadvertent misrepresentation of the capabilities of density functional theory (DFT) and of its local density approximation (LDA) in describing electronic and related properties of materials accurately. The oversight of some previous LDA results that agree with experiments partly led to this unintended misrepresentation, in addition to a few assertions relative to perceived deficiencies of DFT.

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