Importance of the Kinetic Energy Density for Band Gap Calculations in Solids with Density Functional Theory.

J Phys Chem A · 2017 · PMC5423078 · PMID 28402113

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closest p

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a clear trendno p-value reported

The band gaps obtained with EV93PW91 are slightly closer to the experimental values since the MAE and MARE are 1.55 eV and 36%, which, however, can still be considered as rather large with a clear trend for underestimation.

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