2.5.9. grid{ }¶

Calling sequence

grid{ }

Properties

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: \(\mathrm{choice}\)
choices: \(\mathrm{yes\;/\;no}\)
default: \(\mathrm{no}\)

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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{real\;number}\)
values: \([10^{-3}, \ldots)\)
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

using: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: \(\mathrm{integer}\)
values: \(\{\ldots,-3,-2,-1,0\}\)
unit: \(\mathrm{-}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{integer}\)
values: \(\{0,1,2,3,\ldots\}\)
unit: \(\mathrm{-}\)

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

using: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: \(\mathrm{integer}\)
values: \(\{\ldots,-3,-2,-1,0\}\)
unit: \(\mathrm{-}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{integer}\)
values: \(\{0,1,2,3,\ldots\}\)
unit: \(\mathrm{-}\)

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

using: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
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

using: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: \(\mathrm{real\;number}\)
values: \(\mathrm{no\;constraints}\)
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

using: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: \(\mathrm{real\;number}\)
values: \([10^{-6}, \ldots)\)
unit: \(\mathrm{eV}\)
default: \(10^{-2}\)

Functionality

Spacing between subsequent energy grid points.

Example

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