def _auto_set_energy_range(self):
        """
        automatically determine the energy range as min/max eigenvalue
        minus/plus the buffer_in_ev
        """
        emins = [min([e_k[0] for e_k in self._bs.bands[Spin.up]])]
        emaxs = [max([e_k[0] for e_k in self._bs.bands[Spin.up]])]

        if self._bs.is_spin_polarized:
            emins.append(min([e_k[0] for e_k in
                              self._bs.bands[Spin.down]]))

            emaxs.append(max([e_k[0] for e_k in
                              self._bs.bands[Spin.down]]))

        min_eigenval = Energy(min(emins) - self._bs.efermi, "eV"). \
            to("Ry")
        max_eigenval = Energy(max(emaxs) - self._bs.efermi, "eV"). \
            to("Ry")

        # set energy range to buffer around min/max EV
        # buffer does not increase CPU time but will help get equal
        # energies for spin up/down for band structure
        const = Energy(2, "eV").to("Ry")
        self._ll = min_eigenval - const
        self._hl = max_eigenval + const

        en_range = Energy(max((abs(self._ll), abs(self._hl))),
                          "Ry").to("eV")

        self.energy_span_around_fermi = en_range * 1.01
        print("energy_span_around_fermi = ",
              self.energy_span_around_fermi)
def _auto_set_energy_range ( self ) : emins = [ min ( [ e_k [ 0 ] for e_k in self . _bs . bands [ Spin . up ] ] ) ] emaxs = [ max ( [ e_k [ 0 ] for e_k in self . _bs . bands [ Spin . up ] ] ) ] if self . _bs . is_spin_polarized : emins . append ( min ( [ e_k [ 0 ] for e_k in self . _bs . bands [ Spin . down ] ] ) ) emaxs . append ( max ( [ e_k [ 0 ] for e_k in self . _bs . bands [ Spin . down ] ] ) ) min_eigenval = Energy ( min ( emins ) - self . _bs . efermi , "eV" ) . to ( "Ry" ) max_eigenval = Energy ( max ( emaxs ) - self . _bs . efermi , "eV" ) . to ( "Ry" ) const = Energy ( 2 , "eV" ) . to ( "Ry" ) self . _ll = min_eigenval - const self . _hl = max_eigenval + const en_range = Energy ( max ( ( abs ( self . _ll ) , abs ( self . _hl ) ) ) , "Ry" ) . to ( "eV" ) self . energy_span_around_fermi = en_range * 1.01 print ( "energy_span_around_fermi = " , self . energy_span_around_fermi )
automatically determine the energy range as min/max eigenvalue
        minus/plus the buffer_in_ev