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radtools.plot_fatbands#

radtools.plot_fatbands(input_folder='.', seedname=None, output_name='', energy_window=None, k_window=None, efermi=0.0, verbose=False, interactive=False, separate=False, save_pickle=False, save_txt=False, custom=None, colours=None, labels=None, legend_fontsize=12, axes_labels_fontsize=14, title_fontsize=18, k_points=None)#

rad-plot-fatbands.py 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_folderstr, default "."

Relative or absolute path to the folder with PDOS files.

Console argument: -if / --input-folder

Metavar: "path"

seednamestr, optional

Prefix for input files with PDOS(E).

In the case of Quantum Espresso-produced seedname is the same as specified in the QE projwfc.x input file (filpdos).

If it is not provided the script tries to detect it automatically in the rad-plot-fatbands_input-folder folder.

Console argument: -s / --seedname

Metavar: "name"

output_namestr, optional

Relative or absolute path to the folder for saving outputs.

Console argument: -on / --output-name

Metavar: "path"

energy_windowtuple of 2 float, optional

Energy window for the plots.

By default the whole energy range present in the files is plotted.

Console argument: -ew / --energy-window

Metavar: ("min", "max")

k_windowtuple of 2 float, optional

K-point window for the plots.

By default the whole states/eV range is plotted.

Console argument: -kw / --k-window

Metavar: ("min", "max")

efermifloat, default 0.0

Fermi energy.

Zero is shifted to Fermi energy.

Console argument: -ef / --efermi

Metavar: "energy"

verbosebool, default False

Verbose output, propagates to the called methods.

Console argument: -v / --verbose

interactivebool, default False

Interactive plotting.

Console argument: -i / --interactive

separatebool, default False

Whether to plot projected DOS for each atom of the same type separately.

Console argument: -sep / --separate

save_picklebool, default False

Whether to save figures as .pickle files.

Console argument: -sp / --save-pickle

save_txtbool, default False

Whether to save some data as txt files.

Console argument: -st / --save-txt

customlist of str, optional

Custom PDOS plot.

Console argument: --custom

Metavar: "description"

colourslist of str, optional

Colours for the relative and custom plots.

Values are passed directly to the matplotlib as strings, therefore any valid value is allowed. Examples: "red" or "#FF0000". When custom is used the order of colours is the same as for the values of the custom.

Console argument: -cls / --colours

labelslist of str, optional

Labels for the custom plots.

Amount of labels have to be the same as the amount of custom strings, or one more. If one more, then first one is interpreted as the label for the background (Use "None" to switch it off). If the amount of argument is one more and the first one is None, then the label for the total PDOS is switched off and the total PDOS itself is not plotted.

Console argument: -lbs / --labels

legend_fontsizeint, default 12

Fontsize of the legend.

Console argument: -lfs / --legend-fontsize

Metavar: "fontsize"

axes_labels_fontsizeint, default 14

Fontsize of the labes of the axes.

Console argument: -alfs / --axes-labels-fontsize

Metavar: "fontsize"

title_fontsizeint, default 18

Fontsize of the title.

Console argument: -tfs / --title-fontsize

Metavar: "fontsize"

k_pointslist of str, optional

Plot coordinates of high symmetry points.

Console argument: -kp / --k-points

Metavar: "G 0.23 K 0.64 Y 1.2 ..."