Note
Go to the end to download the full example code.
Plotting fermi3d spin_texture#
Symmetry does not currently work! Make sure for fermi surface calculations turn off symmetry
Plotting fermi3d spin_texture example.
First download the example files with the code below. Then replace data_dir below.
data_dir = pyprocar.download_example(save_dir='',
material='Fe',
code='vasp',
spin_calc_type='non-colinear',
calc_type='fermi')
# sphinx_gallery_thumbnail_number = 1
import pyvista
# You do not need this. This is to ensure an image is rendered off screen when generating exmaple gallery.
pyvista.OFF_SCREEN = True
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"
# First create the FermiHandler object, this loads the data into memory. Then you can call class methods to plot
# Symmetry only works for specfic space groups currently.
# For the actual calculations turn off symmetry and set 'apply_symmetry'=False
fermiHandler = pyprocar.FermiHandler(
code="vasp",
dirname=data_dir,
apply_symmetry=True)
WARNING : Fermi Energy not set! Set `fermi={value}`. By default, using fermi energy found in given directory.
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Spin Texture mode#
fermiHandler.plot_fermi_surface(mode="spin_texture",
spin_texture=True,
arrow_size=0.1,
show=True,)
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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 , parametric , spin_texture , overlay
Here is a list of properties: fermi_speed , fermi_velocity , harmonic_effective_mass
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ij,uvwabj->uvwabi
Total running time of the script: (0 minutes 7.507 seconds)