Plotting lines and planes (tab_plot)

This is a script to plot the band with line path (High symmetry line) or plane cut using tabulate calculation result from Wannierberri. Tested

NOTE:

1. Please chose the line kpaths which are in the 1st BZ.
2. The plane cut figure shows a plane cut of 2x2x2 reciprocal lattice.
3. All k coordinate values in list like parameters should be integer. (means which k point). eg. If k-grid is 12x12x12. kpoint (1/3,2/3,0.5) should be (4,8,6)
4. In order to ensure that more high symmetry points have k-grid points, you would better set NK as multiples of 12 when doing tabulate calculation.

Usage example:

line:

python3 -m wannierberri.utils.tab_plot tab_result.pickle type=Line quantity=True kpath=0,0,0,0,0,40 namelist=G,Z qtype=berry component=z

plane:

python3 -m wannierberri.utils.tab_plot tab_result.pickle type=Plane quantity=True Efermi=-0.5 vec1=1,0,0 vec2=0,1,0 qtype=berry component=z

Options

-h	print the help message

type (String)

Type of plot.

Line: line cut

Plane: plane cut

Default: None

quantity (Boolean)

Plot quantity or not.

False: Only plot energy of band.

True: Not only energy of band but also quantity(plot as color dot)

Default: False

o_point (list like)

k coordinate of origin.(type=Plane)

Two vectors and one origin can define a plane.

Default: 0,0,0

vec1 (list like)

k coordinate of one of the two vectors. (type=Plane)

Only direction of vector works. (0,0,1) == (0,0,6)

And it is the horizontal axis of plot.

Default: 0,0,1

vec2 (list like)

k coordinate of one of the two vectors. (type=Plane)

Only direction of vector work. (0,1,0) == (0,6,0)

Default: 0,1,0

kpath (list like)

Starting points and ending points of k-path. (type=Plane)

6 elements are one group, the first three elements are k coordinate of starting point and the back three elements are k coordinate of ending point. It should have multiples of 6 elements.

coordinates are given as integers on the grid

Default: 0,0,0,0,0,40

Efermi (float)

Fermi level when (type=Line)

Plotting energy (when type=Plane)

default: 0.0

E_min, E_max (float)

Energy window of plot. (type=Line)

default: E_min=-2 Emax=2

qtype (str)

type of quantities (quantity=True)

spin,V,morb,berry,hall_spin,hall_orb

default: None

component (str)

Cartesian coordinate projection (quantity=True)

x,y,z

default: None

cmax (int)

Which are used in conjunction with the default norm to map the quantity to the colormap.

vmax=cmax,vmin=-cmax as parameters of plt.scatter.

default: 200