Plotting fermi2d noncolinear

Plotting fermi2d noncolinear example. For more information about fermi2d refer to 2D spin-texture

First download the example files with the code below. Then replace data_dir below.

Downloading example

 data_dir = pyprocar.download_example(save_dir='',
                             material='Fe',
                             code='vasp',
                             spin_calc_type='non-colinear',
                             calc_type='fermi')

importing pyprocar and specifying local data_dir

import os
import pyprocar

data_dir = f"{pyprocar.utils.ROOT}{os.sep}data{os.sep}examples{os.sep}Fe{os.sep}vasp{os.sep}non-colinear{os.sep}fermi"

Spin Texture Projection

By setting spin_texture to be true, You can plot the arrows for the spin textures. By default the projected values of the arrows will be s_z. But you can change this by setting arrow_projection to one of the following ‘x’,’y’,’z’,’x^2’,’y^2’,’z^2’

pyprocar.fermi2D(code = 'vasp',
               dirname=data_dir,
               fermi=5.5962,
               spin_texture=True,
               spin_projection='x',
               arrow_size=3,
               arrow_density=10,
               plot_color_bar=True)

 ____        ____
|  _ \ _   _|  _ \ _ __ ___   ___ __ _ _ __
| |_) | | | | |_) | '__/ _ \ / __/ _` | '__|
|  __/| |_| |  __/| | | (_) | (_| (_| | |
|_|    \__, |_|   |_|  \___/ \___\__,_|_|
       |___/
A Python library for electronic structure pre/post-processing.

Version 6.2.0 created on Jun 10th, 2021

Please cite:
 Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero.,
 PyProcar: A Python library for electronic structure pre/post-processing.,
 Computer Physics Communications 251 (2020):107080.


Developers:
- Francisco Muñoz
- Aldo Romero
- Sobhit Singh
- Uthpala Herath
- Pedram Tavadze
- Eric Bousquet
- Xu He
- Reese Boucher
- Logan Lang
- Freddy Farah

dirname         :  Z:\Research Projects\pyprocar\data\examples\Fe\vasp\non-colinear\fermi
bands           :  None
atoms           :  None
orbitals        :  None
spin comp.      :  None
energy          :  None
rot. symmetry   :  1
origin (trasl.) :  [0, 0, 0]
rotation        :  [0, 0, 0, 1]
save figure     :  None
spin_texture    :  True

            --------------------------------------------------------
            There are additional plot options that are defined in a configuration file.
            You can change these configurations by passing the keyword argument to the function
            To print a list of plot options set print_plot_opts=True

            Here is a list modes : plain , plain_bands , parametric
            --------------------------------------------------------


            WARNING : Make sure the kmesh has kz points with kz=0.0 +- 0.01
            ----------------------------------------------------------------------------------------------------------

_____________________________________________________
Useful band indices for spin-0 : [4 5 6 7 8 9]

Spin Texture single color

pyprocar.fermi2D(code = 'vasp',
               dirname=data_dir,
               fermi=5.5962,
               spin_texture=True,
               arrow_color = 'blue',
               arrow_size=3,
               arrow_density=10)

 ____        ____
|  _ \ _   _|  _ \ _ __ ___   ___ __ _ _ __
| |_) | | | | |_) | '__/ _ \ / __/ _` | '__|
|  __/| |_| |  __/| | | (_) | (_| (_| | |
|_|    \__, |_|   |_|  \___/ \___\__,_|_|
       |___/
A Python library for electronic structure pre/post-processing.

Version 6.2.0 created on Jun 10th, 2021

Please cite:
 Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero.,
 PyProcar: A Python library for electronic structure pre/post-processing.,
 Computer Physics Communications 251 (2020):107080.


Developers:
- Francisco Muñoz
- Aldo Romero
- Sobhit Singh
- Uthpala Herath
- Pedram Tavadze
- Eric Bousquet
- Xu He
- Reese Boucher
- Logan Lang
- Freddy Farah

dirname         :  Z:\Research Projects\pyprocar\data\examples\Fe\vasp\non-colinear\fermi
bands           :  None
atoms           :  None
orbitals        :  None
spin comp.      :  None
energy          :  None
rot. symmetry   :  1
origin (trasl.) :  [0, 0, 0]
rotation        :  [0, 0, 0, 1]
save figure     :  None
spin_texture    :  True

            --------------------------------------------------------
            There are additional plot options that are defined in a configuration file.
            You can change these configurations by passing the keyword argument to the function
            To print a list of plot options set print_plot_opts=True

            Here is a list modes : plain , plain_bands , parametric
            --------------------------------------------------------


            WARNING : Make sure the kmesh has kz points with kz=0.0 +- 0.01
            ----------------------------------------------------------------------------------------------------------

_____________________________________________________
Useful band indices for spin-0 : [4 5 6 7 8 9]

Selecting band indices

You can specify specfic bands with the band indices keyword. band_indices will be a list of list that contain band indices. Below I only plot bands 14,15 Also you can specify the colors of the bands as well with band_colors

band_indices = [[6,7]]
band_colors = [['blue','red']]
pyprocar.fermi2D(code = 'vasp',
               mode='plain_bands',
               fermi=5.5962,
               band_indices = band_indices,
               band_colors=band_colors,
               spin_texture=True,
               arrow_size=3,
               arrow_density=10,
               dirname=data_dir)

 ____        ____
|  _ \ _   _|  _ \ _ __ ___   ___ __ _ _ __
| |_) | | | | |_) | '__/ _ \ / __/ _` | '__|
|  __/| |_| |  __/| | | (_) | (_| (_| | |
|_|    \__, |_|   |_|  \___/ \___\__,_|_|
       |___/
A Python library for electronic structure pre/post-processing.

Version 6.2.0 created on Jun 10th, 2021

Please cite:
 Uthpala Herath, Pedram Tavadze, Xu He, Eric Bousquet, Sobhit Singh, Francisco Muñoz and Aldo Romero.,
 PyProcar: A Python library for electronic structure pre/post-processing.,
 Computer Physics Communications 251 (2020):107080.


Developers:
- Francisco Muñoz
- Aldo Romero
- Sobhit Singh
- Uthpala Herath
- Pedram Tavadze
- Eric Bousquet
- Xu He
- Reese Boucher
- Logan Lang
- Freddy Farah

dirname         :  Z:\Research Projects\pyprocar\data\examples\Fe\vasp\non-colinear\fermi
bands           :  [[6, 7]]
atoms           :  None
orbitals        :  None
spin comp.      :  None
energy          :  None
rot. symmetry   :  1
origin (trasl.) :  [0, 0, 0]
rotation        :  [0, 0, 0, 1]
save figure     :  None
spin_texture    :  True

            --------------------------------------------------------
            There are additional plot options that are defined in a configuration file.
            You can change these configurations by passing the keyword argument to the function
            To print a list of plot options set print_plot_opts=True

            Here is a list modes : plain , plain_bands , parametric
            --------------------------------------------------------


            WARNING : Make sure the kmesh has kz points with kz=0.0 +- 0.01
            ----------------------------------------------------------------------------------------------------------

_____________________________________________________
Useful band indices for spin-0 : [4 5 6 7 8 9]