Corrigendum to “The thermochemistry library Thermochimica”

The CALPHAD method has been highly relied upon for material design and development and a number of software packages have been developed for computing thermodynamic equilibrium. While Gibbs Energy Minimisation (GEM) has been the most commonly used algorithm for thermodynamic equilibrium calculations, an alternative technique namely Partitioning of Gibbs Energy Minimisation (PGE) was advanced and applied to the thermochemistry library Thermochimica due to some of its numerical advantages. The PGE approach, however, has considerable convergence issues when applied to highly non-ideal solution phases and therefore was eventually abandoned in Thermochimica. This corrigendum illustrates the convergence issues and their underlying cause with the aim of informing the readers about the reasoning for adopting GEM in place of PGE in Thermochimica and may help their own decision making in selecting an algorithm for their own software.