1. Figure 5(a) was obtained by changing the lattice constant, similar to a stress-controlled calculation. However, we only modified the ”universal scaling factor (’lattice constant’)” in the VASP input file (POSCAR) without performing geometric structure optimization. The calculation involved scaling the entire structure and conducting a static calculation to obtain the total energy of the system. The comparison of total energies was used to evaluate the system’s stiffness. Since typical stress-controlled calculations involve geometric optimization, the x-axis in our graph was not labeled as ”stress” but as ”scaling lattice constants,” . Additionally, it should be noted that the lattice constant in the input file (POSCAR) is reflected in the lattice vectors (lines 3-5) in our calculations, and the ”universal scaling factor” of 1 represents the equilibrium state without any lattice length changes here.
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