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Nanoscale Research Letters
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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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