pyprocar.core.FermiSurface¶
- class pyprocar.core.FermiSurface(*args, **kwargs)[source]¶
A class to generate and manipulate Fermi surfaces from electronic band structure data. Extends PyVista’s PolyData class for rich 3D visualization capabilities.
- Parameters:
ebs (ElectronicBandStructure) – The electronic band structure object containing band data
fermi (float, optional) – The Fermi energy level, by default 0.0
fermi_shift (float, optional) – Energy shift to apply to the Fermi level, by default 0.0
interpolation_factor (int, optional) – Factor to increase k-point density, by default 1
projection_accuracy (str, optional) – Accuracy for projections (‘high’ or ‘normal’), by default ‘normal’
max_distance (float, optional) – Maximum distance for point projections, by default 0.2
Methods
FermiSurface.__init__(ebs[, fermi, ...])Initialize the polydata.
FermiSurface.compute_ebs_ipr([label, ...])FermiSurface.compute_ebs_ipr_atom([label, ...])FermiSurface.compute_fermi_speed([label, ...])FermiSurface.compute_fermi_velocity([label, ...])FermiSurface.compute_gradient(name[, ...])FermiSurface.compute_property(name[, ...])FermiSurface.compute_spin_texture([atoms, ...])FermiSurface.extend_surface(zone_directions)Method to extend the surface in the direction of a reciprocal lattice vecctor
FermiSurface.format_property_data(property_value)FermiSurface.from_code(code, dirpath[, ...])FermiSurface.get_brillouin_zone(supercell)Returns the BrillouinZone of the material
FermiSurface.get_property(name[, ...])FermiSurface.project_property(name, ...[, ...])FermiSurface.update_point_data(name[, ...])Attributes
Return the number of points in the entire dataset.