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. 2023 Feb 9;19(4):1300–1309. doi: 10.1021/acs.jctc.2c01191

Figure 5.

Figure 5

Distribution of ionic forces in a 64-molecule H2O snapshot, computed using the AEPW approach with Ecut = 30 kRy. The Gaussian kernel bandwidth used is 0.003 (a.u.).