USPEX 10.2 manual: Test runs

9.2 Test runs

$\includegraphics[scale=0.2]{pic/testrun_a}$	$\includegraphics[scale=0.2]{pic/testrun_b}$
(a)	(b)
$\includegraphics[scale=0.25]{pic/testrun_c}$	$\includegraphics[scale=0.35]{pic/testrun_d}$
(c)	(d)

Figure 19: Evolutionary structure search for Au $_8$ Pd $_4$ . a, b — evolution of the total energy (for clarity, panel (b) zooms in on the lowest-energy region of the same data set), c — the lowest-energy structure found in our evolutionary simulation, and d — the lowest-energy structure found by cluster expansion calculations of Zunger. Note that our structure (c) is the lowest-energy known structure for this compound. This establishes the power of our method (even in its ancient, 2007, version).