Table 2 Calculated and experimental26,27 dielectric constants () and born effective charges (Z*) along the a-axis and c-axis (in parentheses).

From: Importance of the Hubbard correction on the thermal conductivity calculation of strongly correlated materials: a case study of ZnO

 

Z *

PBE

5.22 (5.33)

2.11 (2.17)

PBE+U

3.08 (3.14)

2.06 (2.12)

Exp

3.70 (3.78)26

2.0227