radtools.plot_tb2j_magnons

radtools.plot_tb2j_magnons(input_filename, spin, template_file=None, output_name='magnon_dispersion', spiral_vector=None, rotation_axis=None, k_points=None, k_path=None, form_model=False, R_vector=None, max_distance=None, min_distance=None, save_txt=False, interactive=False, verbose=False, bravais_type=None, join_output=False, nodmi=False, no_anisotropic=False)

rad-plot-tb2j-magnons 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 the name and extension of the file itself.

Console argument: -if / --input-filename

Metavar: "filename"

spinlist of str, optional

Spin of the atoms in the model.

For each atom, which has at least one bond connected to it is necessary to specify spin vector. The spin vector is specified in the form of atom's name followed by three numbers, separated by spaces. The numbers represent the x, y, and z components of the spin vector.

Console argument: -s / --spin

Metavar: "Atom S_x S_y S_z"

template_filestr, optional

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

Console argument: -tf / --template-file

Metavar: "filename"

output_namestr, default "magnon_dispersion"

Seedname for the output files.

Console argument: -on / --output-name

Metavar: "filename"

spiral_vectorlist of 3 float, optional

Spin spiral vector. Relative to the reciprocal cell.

Console argument: -Q / --spiral-vector

Metavar: ("Q_x", "Q_y", "Q_z")

rotation_axislist of 3 float, optional

Direction of global rotation axis. In absolute coordinates in real space.

Console argument: -ra / --rotation-axis

Metavar: ("n_x", "n_y", "n_z")

k_pointslist of str, optional

Additional high-symmetry k-points.

Coordinates are relative to the reciprocal cell.

Added in version 0.8.9.

Console argument: -kps / --k-points

Metavar: "name label xrel yrel zrel ..."

k_pathstr, optional

Path in reciprocal space for the magnon dispersion.

Console argument: -kp / --k-path

Metavar: "G-X-M-G|G-Y"

form_modelbool, default False

Whether to form the spinham based on the template.

Console argument: -fm / --form-model

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 ..."

max_distancefloat, optional

(<=) 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

Added in version 0.8.0.

min_distancefloat, optional

(>=) Minimum distance.

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

Console argument: -mind / --min-distance

Added in version 0.8.0.

save_txtbool, default False

Whether to save data to .txt file.

Two files appears: "output-name.txt" and "output-name_info.txt". First one contains raw data of the graph, second one contains information about the parameters.

Console argument: -st / --save-txt

interactivebool, default False

Whether to show interactive plot.

Console argument: -i / --interactive

verbosebool, default False

Verbose output, propagates to the called methods.

Console argument: -v / --verbose

bravais_typestr, optional

Bravais lattice type. If not provided, the type is identified automatically.

It does not force the Bravais lattice type on the model, but tries to reach the desired type by reducing the numerical accuracy in the lepage() algorithm.

Console argument: -bt / --bravais-type

Choices: "CUB", "FCC", "BCC", "TET", "BCT", "ORC", "ORCF", "ORCI", "ORCC", "HEX", "RHL", "MCL", "MCLC", "TRI"

join_outputbool, default False

Whether to join the output files into a single file.

Console argument: -jo / --join-output

nodmibool, default False

Whether to ignore DMI in the spinham.

Console argument: -nodmi

no_anisotropicbool, default False

Whether to ignore anisotropic symmetric exchange in the spinham.

Console argument: -noa / --no-anisotropic