Note
Go to the end to download the full example code.
Plotting rashba spin splitting#
Plotting rashba spin splitting example. From our first paper we had an example to plot the different spin texture projections of BiSb at a constant energy surface 0.60eV above the fermei level and -0.90ev below the fermi level.
First download the example files with the code below. Then replace data_dir below.
Downloading example#
data_dir = pyprocar.download_example(save_dir='',
material='BiSb_monolayer',
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}BiSb_monolayer{os.sep}vasp{os.sep}non-colinear{os.sep}fermi"
energy = 0.60 sx projection no arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=0.60,
fermi=-1.1904,
spin_texture=True,
no_arrow=True,
spin_projection='x',
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : 0.6
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 : [20 21]
energy = 0.60 sy projection no arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=0.60,
fermi=-1.1904,
spin_texture=True,
no_arrow=True,
spin_projection='y',
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : 0.6
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 : [20 21]
energy = 0.60 sz projection no arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=0.60,
fermi=-1.1904,
spin_texture=True,
no_arrow=True,
spin_projection='z',
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : 0.6
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 : [20 21]
energy = -0.90 sx projection no arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=-0.90,
fermi=-1.1904,
spin_texture=True,
no_arrow=True,
spin_projection='x',
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : -0.9
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 : [16 17 18 19]
energy = -0.90 sy projection no arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=-0.90,
fermi=-1.1904,
spin_texture=True,
no_arrow=True,
spin_projection='y',
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : -0.9
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 : [16 17 18 19]
energy = -0.90 sz projection no arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=-0.90,
fermi=-1.1904,
spin_texture=True,
no_arrow=True,
spin_projection='z',
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : -0.9
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 : [16 17 18 19]
energy = 0.60 sx projection with arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=0.60,
fermi=-1.1904,
spin_texture=True,
spin_projection='x',
arrow_size=3,
arrow_density=6,
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : 0.6
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 : [20 21]
energy = -0.90 sx projection with arrows#
pyprocar.fermi2D(code = 'vasp',
dirname=data_dir,
energy=-0.90,
fermi=-1.1904,
spin_texture=True,
spin_projection='x',
arrow_size=3,
arrow_density=6,
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\BiSb_monolayer\vasp\non-colinear\fermi
bands : None
atoms : None
orbitals : None
spin comp. : None
energy : -0.9
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 : [16 17 18 19]
Total running time of the script: (0 minutes 38.136 seconds)