The script is as under. No pragram is running in ATk 11.2.0 , the same error is seen in every program
# -------------------------------------------------------------
# TwoProbe configuration
# -------------------------------------------------------------
# -------------------------------------------------------------
# Left electrode
# -------------------------------------------------------------
# Set up lattice
vector_a = [8.65074436104, 0.0, 0.0]*Angstrom
vector_b = [0.0, 8.65074436104, 0.0]*Angstrom
vector_c = [0.0, 0.0, 4.078]*Angstrom
left_electrode_lattice = UnitCell(vector_a, vector_b, vector_c)
# Define elements
left_electrode_elements = [Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon]
# Define coordinates
left_electrode_coordinates = [[ 0. , 0. , 0. ],
[ 0. , 2.88358145, 0. ],
[ 0. , 5.76716291, 0. ],
[ 2.88358145, 0. , 0. ],
[ 2.88358145, 2.88358145, 0. ],
[ 2.88358145, 5.76716291, 0. ],
[ 5.76716291, 0. , 0. ],
[ 5.76716291, 2.88358145, 0. ],
[ 5.76716291, 5.76716291, 0. ],
[ 7.20895363, 7.20895363, 2.039 ],
[ 7.20895363, 4.32537218, 2.039 ],
[ 7.20895363, 1.44179073, 2.039 ],
[ 4.32537218, 4.32537218, 2.039 ],
[ 4.32537218, 7.20895363, 2.039 ],
[ 1.44179073, 7.20895363, 2.039 ],
[ 1.44179073, 4.32537218, 2.039 ],
[ 1.44179073, 1.44179073, 2.039 ],
[ 4.32537218, 1.44179073, 2.039 ]]*Angstrom
# Set up configuration
left_electrode = BulkConfiguration(
bravais_lattice=left_electrode_lattice,
elements=left_electrode_elements,
cartesian_coordinates=left_electrode_coordinates
)
# -------------------------------------------------------------
# Right electrode
# -------------------------------------------------------------
# Set up lattice
vector_a = [8.65074436104, 0.0, 0.0]*Angstrom
vector_b = [0.0, 8.65074436104, 0.0]*Angstrom
vector_c = [0.0, 0.0, 4.078]*Angstrom
right_electrode_lattice = UnitCell(vector_a, vector_b, vector_c)
# Define elements
right_electrode_elements = [Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon]
# Define coordinates
right_electrode_coordinates = [[ 2.88358145e+00, 2.88358145e+00, -3.55271368e-15],
[ 5.76716291e+00, 5.76716291e+00, -3.55271368e-15],
[ 5.76716291e+00, 2.88358145e+00, -3.55271368e-15],
[ 5.76716291e+00, 0.00000000e+00, -3.55271368e-15],
[ 2.88358145e+00, 5.76716291e+00, -3.55271368e-15],
[ 0.00000000e+00, 2.88358145e+00, -3.55271368e-15],
[ 0.00000000e+00, 5.76716291e+00, -3.55271368e-15],
[ 0.00000000e+00, 0.00000000e+00, -3.55271368e-15],
[ 2.88358145e+00, 0.00000000e+00, -3.55271368e-15],
[ 4.32537218e+00, 7.20895363e+00, 2.03900000e+00],
[ 7.20895363e+00, 1.44179073e+00, 2.03900000e+00],
[ 4.32537218e+00, 4.32537218e+00, 2.03900000e+00],
[ 7.20895363e+00, 4.32537218e+00, 2.03900000e+00],
[ 1.44179073e+00, 7.20895363e+00, 2.03900000e+00],
[ 1.44179073e+00, 4.32537218e+00, 2.03900000e+00],
[ 1.44179073e+00, 1.44179073e+00, 2.03900000e+00],
[ 4.32537218e+00, 1.44179073e+00, 2.03900000e+00],
[ 7.20895363e+00, 7.20895363e+00, 2.03900000e+00]]*Angstrom
# Set up configuration
right_electrode = BulkConfiguration(
bravais_lattice=right_electrode_lattice,
elements=right_electrode_elements,
cartesian_coordinates=right_electrode_coordinates
)
# -------------------------------------------------------------
# Central region
# -------------------------------------------------------------
# Set up lattice
vector_a = [8.65074436104, 0.0, 0.0]*Angstrom
vector_b = [0.0, 8.65074436104, 0.0]*Angstrom
vector_c = [0.0, 0.0, 22.0791629074]*Angstrom
central_region_lattice = UnitCell(vector_a, vector_b, vector_c)
# Define elements
central_region_elements = [Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon,
Silicon, Silicon, Silicon, Silicon, Silicon, Silicon, Silicon]
# Define coordinates
central_region_coordinates = [[ 0. , 0. , 0. ],
[ 0. , 2.88358145, 0. ],
[ 0. , 5.76716291, 0. ],
[ 2.88358145, 0. , 0. ],
[ 2.88358145, 2.88358145, 0. ],
[ 2.88358145, 5.76716291, 0. ],
[ 5.76716291, 0. , 0. ],
[ 5.76716291, 2.88358145, 0. ],
[ 5.76716291, 5.76716291, 0. ],
[ 7.20895363, 7.20895363, 2.039 ],
[ 7.20895363, 4.32537218, 2.039 ],
[ 7.20895363, 1.44179073, 2.039 ],
[ 4.32537218, 4.32537218, 2.039 ],
[ 4.32537218, 7.20895363, 2.039 ],
[ 1.44179073, 7.20895363, 2.039 ],
[ 1.44179073, 4.32537218, 2.039 ],
[ 1.44179073, 1.44179073, 2.039 ],
[ 4.32537218, 1.44179073, 2.039 ],
[ 0. , 0. , 4.078 ],
[ 0. , 2.88358145, 4.078 ],
[ 0. , 5.76716291, 4.078 ],
[ 2.88358145, 0. , 4.078 ],
[ 2.88358145, 2.88358145, 4.078 ],
[ 2.88358145, 5.76716291, 4.078 ],
[ 5.76716291, 0. , 4.078 ],
[ 5.76716291, 2.88358145, 4.078 ],
[ 5.76716291, 5.76716291, 4.078 ],
[ 4.32537218, 4.32537218, 6.117 ],
[ 4.32537218, 1.44179073, 6.117 ],
[ 1.44179073, 1.44179073, 6.117 ],
[ 1.44179073, 4.32537218, 6.117 ],
[ 2.88358145, 2.88358145, 8.156 ],
[ 2.88358145, 2.88358145, 11.03958145],
[ 2.88358145, 2.88358145, 13.92316291],
[ 1.44179073, 1.44179073, 15.96216291],
[ 1.44179073, 4.32537218, 15.96216291],
[ 4.32537218, 1.44179073, 15.96216291],
[ 4.32537218, 4.32537218, 15.96216291],
[ 2.88358145, 2.88358145, 18.00116291],
[ 5.76716291, 5.76716291, 18.00116291],
[ 5.76716291, 2.88358145, 18.00116291],
[ 5.76716291, 0. , 18.00116291],
[ 2.88358145, 5.76716291, 18.00116291],
[ 0. , 2.88358145, 18.00116291],
[ 0. , 5.76716291, 18.00116291],
[ 0. , 0. , 18.00116291],
[ 2.88358145, 0. , 18.00116291],
[ 4.32537218, 7.20895363, 20.04016291],
[ 7.20895363, 1.44179073, 20.04016291],
[ 4.32537218, 4.32537218, 20.04016291],
[ 7.20895363, 4.32537218, 20.04016291],
[ 1.44179073, 7.20895363, 20.04016291],
[ 1.44179073, 4.32537218, 20.04016291],
[ 1.44179073, 1.44179073, 20.04016291],
[ 4.32537218, 1.44179073, 20.04016291],
[ 7.20895363, 7.20895363, 20.04016291]]*Angstrom
# Set up configuration
central_region = BulkConfiguration(
bravais_lattice=central_region_lattice,
elements=central_region_elements,
cartesian_coordinates=central_region_coordinates
)
device_configuration = DeviceConfiguration(
central_region,
[left_electrode, right_electrode]
)