get_vb_cb_indices

Full name: ase2sprkkr.asr.emasses.get_vb_cb_indices

ase2sprkkr.asr.emasses.get_vb_cb_indices(e_skn, efermi, delta)[source]

Find CB and VB within a distance of delta of the CB and VB extrema.

Parameters:
  • e_skn ((ns, nk, nb)-shape ndarray) – eigenvalues

  • efermi (float) – fermi level

  • delta (float) – bands within delta of the extrema are included

Returns:

vb_indices, cb_indices – spin and band indices (aka as SBandex) for VB and CB, respectively

Return type:

[(spin, band), ..], [(spin, band), …]