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arXiv · 1610.04637

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

Diola Bagayoko·Yacouba Issa Diakité·Chinedu E. Ekuma·Lashounda Franklin
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Abstract

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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Diola Bagayoko, Yacouba Issa Diakité, Chinedu E. Ekuma, Lashounda Franklin. 2016-10-14. Comments on All-electron mixed basis GW calculations of TiO2 and ZnO crystals. https://arxiv.org/abs/1610.04637

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