4_4/set.8

General

• Tube: (4,4) tube, 5 unit cells, one vacancy (79 atoms)
• Temperature: 320.0 K (Nose-Hoover thermostat)
• Time step: 1 hbar/eV
• Iterations: 54200
• Propagation time: 54200.000 hbar/eV (35.674 ps)
• Lattice constant: (12.369440, 16.838849)
• Velocity: 0.12528 Ang/ps

Runs

• run.1: Temperature, Pot. energy, Movie, Tube breaks.
• run.2: Temperature, Pot. energy, Movie, Tube breaks.
• run.3: Temperature, Pot. energy, Movie, Tube breaks.
• run.4: Temperature, Pot. energy, Movie, Tube breaks.
• run.5: Temperature, Pot. energy, Movie, Tube breaks.
• run.6: Temperature, Pot. energy, Movie, Tube breaks.
• run.7: Temperature, Pot. energy, Movie, Tube breaks.
• run.8: Temperature, Pot. energy, Movie, Tube breaks.
• run.9: Temperature, Pot. energy, Movie, Tube breaks.
• run.10: Temperature, Pot. energy, Movie, Tube breaks.