19991108: a third $Ce^{4+}_{250}Ce^{3+}_{250}O_{875}(V_O^{\cdot \cdot })_{125}$ configuration in the NPT ensemble

GOAL

To better check reproducibility for the $Ce^{4+}_{250}Ce^{3+}_{250}O_{875}(V_O^{\cdot \cdot })_{125}$ system in the NPT ensemble.

Current NPT calcs (with comparable NVE ones):

$Ce^{4+}_{250}Ce^{3+}_{250}O_{875}(V_O^{\cdot \cdot })_{125}$
NVE	NPT
19990824	19991029
19990825	19991103
	19991108
$Zr_{100}Ce^{4+}_{200}Ce^{3+}_{200}O_{900}(V_O^{\cdot \cdot })_{100}$
NVE	NPT
19990831	19991020
19990902	19991028

Results