4_0/set.15
General
- Tube: (4,0) tube, 7 unit cells (112 atoms)
- Temperature: 0.0 K
- Time step: 1 hbar/eV
- Iterations: 62200
- Propagation time: 62200.000 hbar/eV (40.940 ps)
- Lattice constant: (30.004336, 42.445934)
- Velocity: 0.30390 Ang/ps
Runs
- run.1:
Temperature,
Pot. energy,
Movie,
Tube breaks, and "explodes" with the backlash. At least one C2 goes away.
- run.2:
Temperature,
Pot. energy,
Movie,
Tube breaks, and "explodes" with the backlash. Some C2 and C3 go away.
- run.3:
Temperature,
Pot. energy,
Movie,
Idem. A larger piece flies away this time.
- run.4:
Temperature,
Pot. energy,
Movie,
Same stuff.
- run.5:
Temperature,
Pot. energy,
Movie,
Some stuff. Also a single carbon atom goes away.
- run.6:
Temperature,
Pot. energy,
Movie,
Same stuff.
- run.7:
Temperature,
Pot. energy,
Movie,
Almost got a wire, but it's too hot.
- run.8:
Temperature,
Pot. energy,
Movie,
Same stuff. There is a benzene ring fairly isolated.
- run.9:
Temperature,
Pot. energy,
Movie,
Same stuff.
- run.10:
Temperature,
Pot. energy,
Movie,
Same stuff.
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