2nd Revision: Supplementary Material
figure
posted on 2025-02-10, 05:06 authored by Luca Murg, Shao-Chun Lee, Vitor Grizzi, Y Zupplementary material includes a parity plot of the scaled
total energy of NequIP versus the total energy scaled by DFT,
plots of the radial distribution function of LiF-NaF for various
ratios, graphs of Fs(k,t) and F(k,t) through the variation of
the ratio and temperature of LiF-NaF, and plots of converged
energy gradients versus bins on the Z axis from calculations
Müller-Plathe.
