Dear friends, I have generated a CNT of (4,4) using the code posted in this forum. The electrode and scattering region information that ATK generated are shown below. My question is: according to this information, what are the
# Scattering elements and coordinates
scattering_elements = [Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon]
scattering_coordinates = [[ 7.00668, 4.29086, 2.46298],
[ 6.21123, 6.21123, 3.69446],
[ 4.29086, 7.00668, 2.46298],
[ 2.37048, 6.21123, 3.69446],
[ 1.57504, 4.29086, 2.46298],
[ 2.37048, 2.37048, 3.69446],
[ 4.29086, 1.57504, 2.46298],
[ 6.21123, 2.37048, 3.69446],
[ 6.64283, 5.64877, 2.46298],
[ 4.99376, 6.91414, 3.69446],
[ 2.93295, 6.64283, 2.46298],
[ 1.66758, 4.99376, 3.69446],
[ 1.93889, 2.93295, 2.46298],
[ 3.58795, 1.66758, 3.69446],
[ 5.64877, 1.93889, 2.46298],
[ 6.91414, 3.58795, 3.69446],
[ 7.00668, 4.29086, 4.92595],
[ 6.21123, 6.21123, 6.15744],
[ 4.29086, 7.00668, 4.92595],
[ 2.37048, 6.21123, 6.15744],
[ 1.57504, 4.29086, 4.92595],
[ 2.37048, 2.37048, 6.15744],
[ 4.29086, 1.57504, 4.92595],
[ 6.21123, 2.37048, 6.15744],
[ 6.64283, 5.64877, 4.92595],
[ 4.99376, 6.91414, 6.15744],
[ 2.93295, 6.64283, 4.92595],
[ 1.66758, 4.99376, 6.15744],
[ 1.93889, 2.93295, 4.92595],
[ 3.58795, 1.66758, 6.15744],
[ 5.64877, 1.93889, 4.92595],
[ 6.91414, 3.58795, 6.15744],
[ 7.00293, 4.27934, 7.39446],
[ 6.21109, 6.20773, 8.61571],
[ 4.28956, 6.99758, 7.38242],
[ 2.37035, 6.21122, 8.62154],
[ 1.5713 , 4.28428, 7.40271],
[ 2.36689, 2.37054, 8.6444 ],
[ 4.28467, 1.56604, 7.41475],
[ 6.20764, 2.36705, 8.63857],
[ 6.6403 , 5.63756, 7.38693],
[ 4.99426, 6.91173, 8.61337],
[ 2.93132, 6.63497, 7.38665],
[ 1.66635, 4.99442, 8.62985],
[ 1.93393, 2.92606, 7.41024],
[ 3.58373, 1.66654, 8.64673],
[ 5.64291, 1.92865, 7.41053],
[ 6.91164, 3.58386, 8.63025],
[ 7.00668, 4.29086, 9.8531 ],
[ 6.21123, 6.21123, 11.0846 ],
[ 4.29086, 7.00668, 9.8531 ],
[ 2.37048, 6.21123, 11.0846 ],
[ 1.57504, 4.29086, 9.8531 ],
[ 2.37048, 2.37048, 11.0846 ],
[ 4.29086, 1.57504, 9.8531 ],
[ 6.21123, 2.37048, 11.0846 ],
[ 6.64283, 5.64877, 9.8531 ],
[ 4.99376, 6.91414, 11.0846 ],
[ 2.93295, 6.64283, 9.8531 ],
[ 1.66758, 4.99376, 11.0846 ],
[ 1.93889, 2.93295, 9.8531 ],
[ 3.58795, 1.66758, 11.0846 ],
[ 5.64877, 1.93889, 9.8531 ],
[ 6.91414, 3.58795, 11.0846 ]]*Angstrom
electrode_elements = [Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon,
Carbon, Carbon, Carbon, Carbon]
electrode_coordinates = [[ 7.00668, 4.29086, 0. ],
[ 6.21123, 6.21123, 1.23149],
[ 4.29086, 7.00668, 0. ],
[ 2.37048, 6.21123, 1.23149],
[ 1.57504, 4.29086, 0. ],
[ 2.37048, 2.37048, 1.23149],
[ 4.29086, 1.57504, 0. ],
[ 6.21123, 2.37048, 1.23149],
[ 6.64283, 5.64877, 0. ],
[ 4.99376, 6.91414, 1.23149],
[ 2.93295, 6.64283, 0. ],
[ 1.66758, 4.99376, 1.23149],
[ 1.93889, 2.93295, 0. ],
[ 3.58795, 1.66758, 1.23149],
[ 5.64877, 1.93889, 0. ],
[ 6.91414, 3.58795, 1.23149]]*Angstrom
electrode_cell = [[ 12.8726 , 0. , 0. ],
[ 0. , 12.8726 , 0. ],
[ 0. , 0. , 2.46298]]*Angstrom
# Set up electrodes
electrode_configuration = PeriodicAtomConfiguration(
electrode_cell,
electrode_elements,
electrode_coordinates
)