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Build Transport Device

build_crystal

  • Electrode Setting
    • Left electrode: must be a structure with lattice
    • Number of left electrode: 3-7, default is 5
    • Right electrode: must be a structure with lattice
    • Number of right electrode: 3-7, default is 5
  • Central Region Setting
    • Central structure: must be a structure with lattice
    • Left boundary of central region: When constructing the transport device, the part of the central structure which fractional coordinate is less than this value will be removed
    • Right boundary of central region: When constructing the transport device, the part of the central structure which fractional coordinate is greater than this value will be removed
    • Keep left boundary atoms: When selected, the atoms of the central structure which fractional coordinates are exactly equal to 'left boundary of central region' will be keeped
    • Keep right boundary atoms: When selected, the atoms of the central structure which fractional coordinates are exactly equal to 'right boundary of central region' will be keeped
    • Left boundary of external potential: The left starting position of the bias
    • Right boundary of external potential: Right starting position of the bias
NOTE：

Note: The stitching direction is along the first lattice basis vector direction. The current direction follows the -a vector direction