score

Script interface to the radtools package.

The behaviour of the command line interface is defined by the functions in this module.

The functions are called with the same names as the scripts, but the prefix "rad-" is removed and "-" are substituted by "_". Function`s arguments directly correspond to the full names of the arguments of the script (i.e. the argument -if, --input-filename of the script rad-extract-tb2j.py is passed to the function extract_tb2j() as the argument input_filename).

Full documentation on the behaviour is available in the Scripts guide.

Example

Identification of Wannier centres from the file "seedname_centres.xyz" with increased span of 0.2, saving the result in the file "identified_centres" of the current directory:

rad-identify-wannier-centres.py seedname_centres.xyz -s 0.2 -on identified_centres

The same result could be achieved by calling the function identify_wannier_centres():

from radtools import identify_wannier_centres  
identify_wannier_centres("seedname_centres.xyz",
    span = 0.2,
    output_name="identified_centres")

Scenarios

identify_wannier_centres(input_filename[, ...])	rad-identify-wannier-centres.py script.
plot_dos([input_folder, seedname, ...])	rad-plot-dos.py script.
plot_fatbands([input_folder, seedname, ...])	rad-plot-fatbands.py script.
make_template([output_name, input_filename, ...])	rad-make-template.py script.
extract_tb2j(input_filename[, ...])	rad-extract-tb2j.py script.
plot_tb2j(input_filename[, output_name, ...])	rad-plot-tb2j.py script.
plot_tb2j_magnons(input_filename, spin[, ...])	rad-plot-tb2j-magnons.py script.