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MEP of the ethylene molecule C2H4 outside the van der Waals surface. Three planes of the molecule are shown. Left colummn: DFT calculation with standard norm-conserving pseudopotentials with a plane wave cutoff of at least 70 Ry and the BLYP density functional. Middle colummn: classical MEP as computed from the Wannier charges (monopoles) alone. Right column: classical MEP as computed from the Wannier charges and quadrupoles.236
