grid{ }

Calling sequence

grid{ }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• items: $\mathrm{exactly}1$

Functionality

Specifications of the non-uniform rectangular grid lines.

Example

grid{
    xgrid{}
}

global{
    simulate1D{}
}

grid{
    xgrid{}
    ygrid{}
}

global{
    simulate2D{}
}

grid{
    xgrid{}
    ygrid{}
    zgrid{}
}

global{
    simulate3D{}
}

Nested keywords

---

xgrid{ }

Calling sequence

grid{ xgrid{ } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• items: $\mathrm{exactly}1$

Functionality

This group is used to define simulation space grid along the $x$-axis.

Example

grid{
    xgrid{}
}

---

xgrid{ min_pos }

Calling sequence

grid{ xgrid{ min_pos } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{nm}$

Functionality

Definition of the smallest, possible $x$-coordinate of the simulation domain. Grid lines specified with smaller x-coordinates are ignored.

Example

grid{
    xgrid{
        min_pos = -50
    }
}

---

xgrid{ max_pos }

Calling sequence

grid{ xgrid{ max_pos } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{nm}$

Functionality

Definition of the largest, possible x-coordinate of the simulation domain. Grid lines specified with larger $x$-coordinates are ignored.

Example

grid{
    xgrid{
        min_pos = 150
    }
}

---

xgrid{ allow_spacing_jumps }

Calling sequence

grid{ xgrid{ allow_spacing_jumps } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{choice}$

• choices: yes; no

• default: no

Functionality

If set to yes, then it is possible to assign two different grid spacing values to the same grid line, which creates a jump in the grid spacing.

Example

grid{
    xgrid{
        allow_spacing_jumps = yes
    }
}

---

xgrid{ line{ } }

Calling sequence

grid{ xgrid{ line{ } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• items: $\mathrm{minimum}2$

Functionality

Group defining a grid lines. As the lines define the total size of the device, at least two of them have to be present for each simulation direction.

Example

grid{
    xgrid{
        line{ }
    }
}

---

xgrid{ line{ pos } }

Calling sequence

grid{ xgrid{ line{ pos } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{nm}$

Functionality

Position of the line.

Hint

A good practice is to define lines on all interfaces in the device to provide the geometry definition possibly independent to the choice of the spacing.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2 }
    }
}

---

xgrid{ line{ spacing } }

Calling sequence

grid{ xgrid{ line{ spacing } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: [1e-3, ...)

• unit: $\mathrm{nm}$

Functionality

A grid spacing in the vicinity of the position of the line.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2 }
    }
}

---

xgrid{ line{ array{ } } }

Calling sequence

grid{ xgrid{ line{ array{ } } } }

Properties

• usage: $\mathrm{conditional}$

• items: $\mathrm{maximum}1$

Dependencies

• xgrid{ line{ array{ } } } is required if xgrid{ line{ array2{ } } } is specified.

Functionality

Repeating a single grid line multiple times at equidistant positions. The grid lines are placed according to the following equation:

$x_n=$ pos $+$ shift $\times n$,

where $n=$ min , … , max

Example

grid{
    xgrid{
        line{
            pos = 5.0   spacing = 0.2
            array{...}
        }
    }
}

---

xgrid{ line{ array{ shift } } }

Calling sequence

grid{ xgrid{ line{ array{ shift } } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{nm}$

Functionality

The distance between repeated grid lines.

Example

grid{
    xgrid{
        line{
        line{
            pos = 5.0   spacing = 0.2
            repeat{ shift = 1.8 }
        }
    }
}

---

xgrid{ line{ array{ min } } }

Calling sequence

grid{ xgrid{ line{ array{ min } } } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{integer}$

• values: {..., -3, -2, -1, 0}

• unit: $-$

• default: 0

Functionality

Number of repeated grid lines in negative $x$-direction, without counting the original grid line.

Example

grid{
    xgrid{
        line{
            pos = 5.0   spacing = 0.2
            array{ shift = 1.8   min = 5 }
        }
    }
}

---

xgrid{ line{ array{ max } } }

Calling sequence

grid{ xgrid{ line{ array{ max } } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{integer}$

• values: {0, 1, 2, 3, ...}

• unit: $-$

Functionality

Number of repeated grid lines in positive $x$-direction, without counting the original grid line.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   max = 5 }
        }
    }
}

---

xgrid{ line{ array2{ } } }

Calling sequence

grid{ xgrid{ line{ array2{ } } } }

Properties

• usage: $\mathrm{conditional}$

• items: $\mathrm{maximum}1$

Dependencies

• xgrid{ line{ array{ } } } is required to use xgrid{ line{ array2{ } } }.

Functionality

This group is intended to be used in conjunction with the group xgrid{ line{ array{ } } }. It allows to repeat the pattern of grid lines generated by xgrid{ line{ array{ } } } multiple times at equidistant positions.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   max = 5 }
            array2{...}
        }
    }
}

---

xgrid{ line{ array2{ shift } } }

Calling sequence

grid{ xgrid{ line{ array2{ shift } } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{nm}$

Functionality

The distance between repeated grid lines.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   max = 5 }
            array2{ shift = 20.0 }
        }
    }
}

---

xgrid{ line{ array2{ min } } }

Calling sequence

grid{ xgrid{ line{ array2{ min } } } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{integer}$

• values: {..., -3, -2, -1, 0}

• unit: $-$

• default: 0

Functionality

Number of repetitions in negative $x$-direction, without counting the original array of grid lines.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   max = 5 }
            array2{ shift = 20.0   min = 7 }
        }
    }
}

---

xgrid{ line{ array2{ max } } }

Calling sequence

grid{ xgrid{ line{ array2{ max } } } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{integer}$

• values: {0, 1, 2, 3, ...}

• unit: $-$

Functionality

Number of repetitions in positive $x$-direction, without counting the original array of grid lines.

Example

grid{
    xgrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   min = 2   max = 5 }
            array2{ shift = 20.0   min = 1   max = 3 }
        }
    }
}

---

ygrid{ }

Calling sequence

grid{ ygrid{ } }

Properties

• usage: $\mathrm{conditional}$

• items: $\mathrm{maximum}1$

Dependencies

• This keyword is required if either simulate2D{ } or simulate2D{ } is specified in the global{ } group.

• It is not allowed if simulate1D{ } is specified in the global{ } group.

Functionality

This group is used to define simulation space grid along the $y$-axis. This group has the same properties and allowed keywords as xgrid{ }.

Example

grid{
    ygrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   min = 2   max = 5 }
            array2{ shift = 20.0   min = 1   max = 3 }
        }
    }
}

---

zgrid{ }

Calling sequence

grid{ zgrid{ } }

Properties

• usage: $\mathrm{conditional}$

• items: $\mathrm{maximum}1$

Dependencies

• This keyword is required if simulate3D{ } is specified in the global{ } group.

• It is not allowed if either simulate1D{ } or simulate2D{ } is specified in the global{ } group.

Functionality

This group is used to define simulation space grid along the $z$-axis. This group has the same properties and allowed keywords as xgrid{ }.

Example

grid{
    zgrid{
        line{ pos = 5.0   spacing = 0.2
            array{ shift = 1.8   min = 2   max = 5 }
            array2{ shift = 20.0   min = 1   max = 3 }
        }
    }
}

---

energy_grid{ }

Calling sequence

grid{ energy_grid{ } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• items: $\mathrm{maximum}1$

Functionality

Specifying the discretization of energy.

Example

grid{
    energy_grid{...}
}

---

energy_grid{ min_energy }

Calling sequence

grid{ energy_grid{ min_energy } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{eV}$

Functionality

Low-energy boundary of the energy grid.

Example

grid{
    energy_grid{
        min_energy = - 2.1
        max_energy = 1.7
    }
}

---

energy_grid{ max_energy }

Calling sequence

grid{ energy_grid{ max_energy } }

Properties

• usage: $\mathrm{required}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: no constraints

• unit: $\mathrm{eV}$

Functionality

High-energy boundary of the energy grid.

Example

grid{
    energy_grid{
        min_energy = - 2.1
        max_energy = 1.7
    }
}

---

energy_grid{ energy_resolution }

Calling sequence

grid{ energy_grid{ energy_resolution } }

Properties

• usage: $\mathrm{optional}\mathrm{within}\mathrm{the}\mathrm{group}$

• type: $\mathrm{real}\mathrm{number}$

• values: [1e-6, ...)

• unit: $\mathrm{eV}$

• default: 1e-2

Functionality

Spacing between subsequent energy grid points.

Example

grid{
    energy_grid{
        min_energy = - 2.1
        max_energy = 1.7
        energy_resolution = 0.005
    }
}