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Figure 3
Phase-coexistence region (LJ147-1 results): (a) canonical specific heat Cv(T); (b) canonical caloric curve [\langle{E}\rangle (T)] (black line), standard deviation of the total energy in the canonical ensemble [\sigma_E(T)] (blue shaded area) and microcanonical caloric curve T(E) (orange line, note that for this curve the independent variable, i.e. the total energy E, is on the vertical axis). Reproduced with permission from Valsson & Parrinello (2013BB77). Copyright (2013) American Chemical Society.

IUCrJ
Volume 2| Part 2| February 2015| Pages 256-266
ISSN: 2052-2525
doi:10.1107/S2052252514027626