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

TL;DR

This paper critiques prior claims about the limitations of density functional theory (DFT) and LDA in accurately modeling material properties, emphasizing the importance of correct interpretation of previous results.

Contribution

It clarifies misconceptions about DFT and LDA's capabilities in describing electronic properties of materials, correcting prior misrepresentations.

Findings

Highlights the agreement of some LDA results with experiments

Addresses misconceptions about DFT limitations

Emphasizes proper interpretation of computational results

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.