. 2022 Jun 9;7(24):20914–20926. doi: 10.1021/acsomega.2c01630

Table 1. The Optimized Lattice Parameter, a (Å), of BaVO₃ with Different XCs and Compared with the Available Experimental Results.

	exchange–correlation functions (XCs)
	PBE	RPBE	PW91	WC	PBEsol	expt^a
lattice parameter	3.97846	4.01721	3.97463	3.92674	3.92391	3.94288

Ref (12).

Table 1. The Optimized Lattice Parameter, a (Å), of BaVO3 with Different XCs and Compared with the Available Experimental Results.