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Figure 4
[\Delta\rho = \rho_{VASP}-\rho_{QE}] difference density maps for urea as obtained with the LDA DFA with [|\Delta\rho| = 0.002] a.u. Positive and negative isosurfaces are depicted in blue and orange, respectively. A central urea molecule is highlighted.

IUCrJ
Volume 12| Part 3| May 2025| Pages 295-306
ISSN: 2052-2525
https://doi.org/10.1107/S2052252525001721