The catalyst was enclosed in a glass vial, and gas inside the vial was taken as a blank gas sample. Deionized water (1 ml) was added to the glass vial, and gas evolution was analyzed in a specified time interval. GdTe reacted with water immediately at room temperature and produced gas bubbles on the surface of the GdTe sample in the glass vial. Quantitative analyses of the product were carried out to corroborate the hypothesis of Hydrogen production and to determine considering the first moment of d-states for Gd atoms and p-states for Te atoms. All the calculations were spin-polarized.