pyprocar.fermisurface3d package

Submodules

pyprocar.fermisurface3d.brillouin_zone module

class pyprocar.fermisurface3d.brillouin_zone.BrillouinZone(reciprocal_lattice, transformation_matrix=None)[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.

wigner_seitz()

returns

Using the Wigner-Seitz Method, this function finds the 1st

set_vectors
wigner_seitz()[source]
Returns

Using the Wigner-Seitz Method, this function finds the 1st Brillouin Zone in terms of vertices and faces

Return type

TYPE

class pyprocar.fermisurface3d.brillouin_zone.Lines(verts=None, faces=None)[source]

Bases: object

Attributes
nface
property nface

pyprocar.fermisurface3d.fermisurface3D module

Created on Fri March 31 2020 @author: Pedram Tavadze

class pyprocar.fermisurface3d.fermisurface3D.FermiSurface3D(kpoints=None, bands=None, band_numbers=None, spd=None, spd_spin=None, fermi_velocity=False, fermi_velocity_vector=False, effective_mass=False, fermi=None, fermi_shift=None, reciprocal_lattice=None, extended_zone_directions=None, interpolation_factor=1, spin_texture=False, colors=None, projection_accuracy='Normal', curvature_type='mean', cmap='viridis', vmin=0, vmax=1, supercell=[1, 1, 1])[source]

Bases: object

class pyprocar.fermisurface3d.fermisurface3D.FermiSurfaceBand3D(kpoints=None, band=None, spd=None, spd_spin=None, fermi_velocity_vector=False, fermi_velocity=False, effective_mass=False, 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], sym=False)[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, scalars)

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.

calculate_first_and_second_derivative_energy

create_spin_texture

create_vector_texture

set_vectors
calculate_first_and_second_derivative_energy()[source]
create_spin_texture()[source]
create_vector_texture(vectors)[source]
project_color(cmap, vmin, vmax, scalars)[source]

Projects the scalars to the surface. :param cmap: DESCRIPTION. Colormaps for the projection. :type cmap: TYPE string :param vmin: DESCRIPTION. :type vmin: TYPE :param vmax: DESCRIPTION. :type vmax: TYPE

Returns

Return type

None.

Module contents