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.) |