def get_band_structure(self):
        """Return a BandStructureSymmLine object interpolating bands along a
        High symmetry path calculated from the structure using HighSymmKpath function"""

        kpath = HighSymmKpath(self.data.structure)
        kpt_line = [Kpoint(k, self.data.structure.lattice) for k
                    in
                    kpath.get_kpoints(coords_are_cartesian=False)[
                        0]]
        kpoints = np.array(
            [kp.frac_coords for kp in kpt_line])

        labels_dict = {l: k for k, l in zip(
            *kpath.get_kpoints(coords_are_cartesian=False)) if l}

        lattvec = self.data.get_lattvec()
        egrid, vgrid = fite.getBands(kpoints, self.equivalences, lattvec, self.coeffs)

        bands_dict = {Spin.up: (egrid / units.eV)}

        sbs = BandStructureSymmLine(kpoints, bands_dict,
                                    self.data.structure.lattice.reciprocal_lattice,
                                    self.efermi / units.eV,
                                    labels_dict=labels_dict)
        return sbs
def get_band_structure ( self ) : kpath = HighSymmKpath ( self . data . structure ) kpt_line = [ Kpoint ( k , self . data . structure . lattice ) for k in kpath . get_kpoints ( coords_are_cartesian = False ) [ 0 ] ] kpoints = np . array ( [ kp . frac_coords for kp in kpt_line ] ) labels_dict = { l : k for k , l in zip ( * kpath . get_kpoints ( coords_are_cartesian = False ) ) if l } lattvec = self . data . get_lattvec ( ) egrid , vgrid = fite . getBands ( kpoints , self . equivalences , lattvec , self . coeffs ) bands_dict = { Spin . up : ( egrid / units . eV ) } sbs = BandStructureSymmLine ( kpoints , bands_dict , self . data . structure . lattice . reciprocal_lattice , self . efermi / units . eV , labels_dict = labels_dict ) return sbs
Return a BandStructureSymmLine object interpolating bands along a
        High symmetry path calculated from the structure using HighSymmKpath function