Source a(Å) b(Å) c(Å) Noda et Al. 4.450 4.450 2.937 Kitchaev et Al. 4.39 4.39 2.871 cif input 4.39600 4.39600 2.87100 PBEsol+U=4 vc-relax 4.37498 4.37498 2.90852 PBEsol vc-relax 4.36872 4.36872 2.83051