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We use the term homochiral (heterochiral) as equivalent to enantiopure (racemic or mixed).
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The increase in the energy cutoff from 340 to 390 eV does not alter significantly the adsorption energies, which change by 0.02 eV, or the atomic positions, which change by 0.01 Å and 0.03 Å in low- and high-coverage models, respectively.
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The increase in the energy cutoff from 340 to 390 eV does not alter significantly the adsorption energies, which change by 0.02 eV, or the atomic positions, which change by 0.01 Å and 0.03 Å in low- and high-coverage models, respectively.
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Convergence in clean Cu has been monitored in a bulk modulus (B) calculation for Cu, resulting in B=143 GPa for a 20×20×20 MP grid and a 340 eV energy cutoff. B changes by 2 GPa when increasing these parameters.
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Convergence in clean Cu has been monitored in a bulk modulus (B) calculation for Cu, resulting in B = 143 GPa for a 20 × 20 × 20 MP grid and a 340 eV energy cutoff. B changes by 2 GPa when increasing these parameters.
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