pyprocar.fermisurface3d package¶
Submodules¶
pyprocar.fermisurface3d.brillouin_zone module¶
-
class
pyprocar.fermisurface3d.brillouin_zone.
BrillouinZone
(reciprocal_lattice, supercell)[source]¶ Bases:
pyprocar.core.surface.Surface
A Surface object with verts, faces and line representation, representing the BrillouinZone
- Attributes
center_of_mass
Center of mass of the vertices.
centers
Centers of faces Returns ——- centers : list of floats (n,3) A list of centers of faces.
nfaces
Number of faces Returns ——- int Number of faces in the surface.
nverts
Number or vertices.
Methods
export
([file_obj, file_type])This function uses the export function from trimesh
set_color_with_cmap
([cmap, vmin, vmax])Sets colors for the trimesh object using the color map provided
set_scalars
(scalars)Sets/Updates the scalars of the surface.
- returns
Using the Wigner-Seitz Method, this function finds the 1st
set_vectors
pyprocar.fermisurface3d.fermisurface3D module¶
Created on Fri March 31 2020 @author: Pedram Tavadze
-
class
pyprocar.fermisurface3d.fermisurface3D.
FermiSurface3D
(kpoints=None, band=None, spd=None, spd_spin=None, fermi=None, reciprocal_lattice=None, interpolation_factor=1, spin_texture=False, color=None, projection_accuracy='Normal', cmap='viridis', vmin=0, vmax=1, supercell=[1, 1, 1], file=None)[source]¶ Bases:
pyprocar.core.isosurface.Isosurface
- Attributes
X
Returns ——- TYPE numpy array DESCRIPTION.
Y
Returns ——- TYPE numpy array DESCRIPTION.
Z
Returns ——- TYPE numpy array DESCRIPTION.
center_of_mass
Center of mass of the vertices.
centers
Centers of faces Returns ——- centers : list of floats (n,3) A list of centers of faces.
dxyz
Returns ——- list DESCRIPTION.
nX
Returns ——- TYPE int DESCRIPTION.
nY
Returns ——- TYPE int DESCRIPTION.
nZ
Returns ——- TYPE int DESCRIPTION.
nfaces
Number of faces Returns ——- int Number of faces in the surface.
nverts
Number or vertices.
surface_boundaries
This function tries to find the isosurface using no interpolation to find the
Methods
clip
(S1, S2)This function clips S1 using the boundaries of S2 and returns
export
([file_obj, file_type])This function uses the export function from trimesh
project_color
(cmap, vmin, vmax)Projects the scalars to the surface.
set_color_with_cmap
([cmap, vmin, vmax])Sets colors for the trimesh object using the color map provided
set_scalars
(scalars)Sets/Updates the scalars of the surface.
create_spin_texture
set_vectors