2.9. grid{ }

Calling sequence

grid{ }

Properties

usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
items: 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
items: 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: real 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: real 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: choice
values: yes or 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
items: 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: real 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: real 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: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
items: 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: real 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: integer
values: \(z \leq 0\)
unit: \(\mathrm{-}\)
default: \(z=0\)

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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: integer
values: \(z \geq 0\)
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

usage: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
items: 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: real 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: integer
values: \(z \leq 0\)
unit: \(\mathrm{-}\)
default: \(z=0\)

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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: integer
values: \(z \geq 0\)
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

usage: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
items: 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: \(\mathrm{\textcolor{Dandelion}{conditional}}\)
items: 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
items: maximum 1

Functionality

Specifying the discretization of the energy grid for local densities of charges defined in both position and energy spaces, \(n(E,x)\), \(p(E,x)\), and in the semiclassical spectra distributed over the position space local_absorption, local_emission.

Example

grid{
    energy_grid{...}
}

energy_grid{ min_energy }

Calling sequence

grid{ energy_grid{ min_energy } }

Properties

usage: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: real 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: \(\mathrm{\textcolor{WildStrawberry}{required}}\)
type: real 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: \(\mathrm{\textcolor{ForestGreen}{optional}}\)
type: real number
values: [1e-6, ...)
unit: \(\mathrm{eV}\)
default: \(r=1e-2\)

Functionality

Spacing between subsequent energy grid points.

Example

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

Last update: 2025-10-01