Reply to “Comment on ‘More accurate generalized gradient approximation for solids’”

In a recent paper [Z. Wu and R. E. Cohen, Phys. Rev. B 73, 235116 (2006)], we proposed an exchange functional model that better describes crystal structures than that of the Perdew-Burke-Ernzerhof ansatz. In this reply we address the issue raised by Zhao and Truhlar in their comment by emphasizing the rationale of the model.

Figure 1

Exchange enhancement factors $F_X$ as functions of the reduced gradient $s$.