radtools.plot_tb2j

radtools.plot_tb2j(input_filename, output_name='exchange', what_to_plot='iso', draw_cells=False, min_distance=None, max_distance=None, distance=None, template_file=None, R_vector=None, scale_atoms=1, scale_data=1, title=None, form_model=False, verbose=False)

rad-plot-tb2j script.

Full documentation on the behaviour is available in the User Guide. Parameters of the function directly correspond to the arguments of the script.

Parameters:

input_filenamestr

Relative or absolute path to the "exchange.out" file, including name and extension of the file.

Console argument: -if / --input-filename

Metavar: "filename"

output_namestr, default "exchange"

Seedname for the output files.

Output files have the following name structure: "output-name.display-data-type.png"

See also: example.

Console argument: -on / --output-name

Metavar: "filename"

what_to_plotstr, default "iso"

Type of data for display.

Specifying the data to be displayed in the graphs. Everything is displayed by default, each value in a separate picture. Currently available for display: Isotropic exchange parameter, distance, |DMI|.

Console argument: -wtp / --what-to-plot

Choices: "all", "iso", "distance", "dmi"

draw_cellsbool, default False

Whether to draw the cells.

If specified then the shapes of all cells presented in the model (after filtering) are drawn. (0, 0, 0) is red.

Console argument: -dc / --draw-cells

min_distancefloat, default None

(>=) Minimum distance.

All the bonds with the distance between atom 1 and atom 2 lower than minimum distance are excluded from the model.

Console argument: -mind / --min-distance

Metavar: "distance"

max_distancefloat, default None

(<=) Maximum distance.

All the bonds with the distance between atom 1 and atom 2 greater than maximum distance are excluded from the model.

Console argument: -maxd / --max-distance

Metavar: "distance"

distancefloat, default None

(=) Exact distance.

Only the bonds with the exact distance remains in the model. There is no point in specifying maximum or minimum distance when this parameter is provided.

Console argument: -d / --distance

Metavar: "distance"

template_filestr, default None

Relative or absolute path to the template file, including the name and extension of the file.

Console argument: -tf / --template-file

Metavar: "filename"

R_vectorlist of int, optional

R vectors for filtering the spin Hamiltonian.

In TB2J outputs the bond is defined by atom 1 (from) and atom 2 (to). Atom 1 is always located in (0, 0, 0) unit cell, while atom 2 is located in R = (i, j, k) unit cell. This parameter tells the script to keep only the bonds for which atom 2 is located in one of specified R supercells. Supercells are specified by a set of integers separated by spaces. They are grouped by three starting from the left and forms a set of R vectors. If the last group contains 1 or 2 integers they are ignored.

Console argument: -R / --R-vector

Metavar: "i1 j1 k1 i2 j2 k2 ..."

scale_atomsfloat, default 1

Scale for the size of atom marks.

Use it if you want to make atom marks bigger (>1) or smaller (<1). Has to be positive.

Console argument: -sa / --scale-atoms

scale_datafloat, default 1

Scale for the size of data text.

Use it if you want to make data text marks bigger (>1) or smaller (<1). Has to be positive.

Console argument: -sd / --scale-data

titlestr, optional

Title for the plots.

Title is displayed in the picture.

Console argument: -t / --title

form_modelbool, default False

Force the spin Hamiltonian to have the symmetry of the template.

Console argument: -fm / --form-model

verbosebool, default False

Verbose output, propagates to the called methods.

Console argument: -v / --verbose