exciting

a full-potential all-electron package implementing linearized augmented planewave methods

The Python Script "plot.spintext"

by Benedikt Maurer

Purpose: This python script is part of the excitingscripts module and is employed in the tutorial Spin-texture calculation for producing the plot of the spin texture.

General description:

plot.spintext can be used to plot the spin texture data from the file spintext.xml, that is produced by a spin texture calculation in exciting.

Optional arguments:

Argument	Shortcut	Default	Description
`--help`	`-h`		Show the help message and exit.
`--directory`	`-d`		Defines the relative path to the directory where `input.xml` and `spintext.xml` are stored.
`--band`	`-b`		Defines the band index for the plot.
`--contour`	`-c`	`'spin_z'`	Defines the context of the contour plot. Choises are `'energy'` and `'spin_z'`.
`--contour_threshhold`	`-cthr`	`'max'`	Defines a threshhold for the contour in case of `-c` = `'spin_z'`. If `-cthr` = `'max'`, the threshhold is determined by the absolute maximum of the spin texture in the `z` direction. Else the threshhold can be defined with a real number.