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Table 1 Simulation parameters used in relaxation calculations

From: Quantum Capacitance Extraction for Carbon Nanotube Interconnects

Pseudopotential

Von Barth Car USPP-PZ

Kinetic energy cutoff

40 Ry.

Charge density cutoff

160 Ry.

Charge mixing β

0.3

Smearing

Gaussian (0.02 Ry.)

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